AG00FC1N

71203-35-5 | 4-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]benzenesulfonamide

AG00FC1N

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CAS Number	71203-35-5
Catalog Number	AG00FC1N(AGN-PC-0KMYMA)
Chemical Name	4-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]benzenesulfonamide
IUPAC Name	4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
InChI	InChI=1S/C22H21N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
InChI Key	QBNZBMVRFYREHK-UHFFFAOYSA-N
MDL Number	MFCD05987165
Molecular Formula	C22H21N3O3S
Molecular Weight	407.4854
SMILES	O=S(C1=CC=C(N2N=C(C3=CC=CC=C3)CC2C4=CC=C(OC)C=C4)C=C1)(N)=O
Synonyms	4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, CID2950007, ML141 compound, ML141, 71203-35-5, ML 141, ML-141, CID-2950007, MLS000693334, MLS002699035, 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide, KUC103352N-2, SMR000299863, 4-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide, QBNZBMVRFYREHK-UHFFFAOYSA-N, AC1MFSF4, MLS006011906, CHEMBL1370630, SCHEMBL12494043, BDBM43220, CHEBI:91613, cid_2950007, AOB1515, HMS2688G07, KUC103352N, BCP13193, EX-A1165, 2551AH, KSC-6-125, MFCD05987165, s7686, SBB085162, STL259581, AKOS000296683, AKOS022118974, KUC103352N-03, API0010286, CS-3940, KSC-23-233, MCULE-5226073572, CID 2950007, NCGC00263209-01, NCGC00263209-02, NCGC00263209-09, AK205799, AS-16658, BC600632, HY-12755, ML 141, >=98% (HPLC), UNM-0000305822, UNM-0000305868, UNM-0000306066, US9388139, 11, SR-01000271680, SR-01000271680-1, 4-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolinyl]benzenesulfonamide, 4-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]benzenesulfonamide, 4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1Hpyrazol-1-yl)benzenesulfonamide, 4-[4,5-Dihydro-5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-1-yl]benzenesulfonamide, 4-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide, 4-[5-(4-METHOXYPHENYL)-3-PHENYL-4,5-DIHYDROPYRAZOL-1-YL]BENZENESULFONAMIDE, C22H21N3O3S, ZINC05013827, CID2950007, 4-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benze nesulfonamide,

Complexity	668
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	407.13g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	407.488g/mol
Monoisotopic Mass	407.13g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	93.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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