AG002LAB

211311-95-4 | 2-Propanesulfonamide, N-[2-(4'-cyano[1,1'-biphenyl]-4-yl)propyl]-

AG002LAB

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CAS Number	211311-95-4
Catalog Number	AG002LAB(AGN-PC-076OB6)
Chemical Name	2-Propanesulfonamide, N-[2-(4'-cyano[1,1'-biphenyl]-4-yl)propyl]-
IUPAC Name	N-[2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide
InChI	InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
InChI Key	HOQAVGZLYRYHSO-UHFFFAOYSA-N
MDL Number	MFCD07364003
Molecular Formula	C19H22N2O2S
Molecular Weight	342.4552
SMILES	CC(S(=O)(NCC(C1=CC=C(C2=CC=C(C#N)C=C2)C=C1)C)=O)C
Synonyms	LA451646, LY 404187, LY-404187, LY404187, LY451646, 211311-95-4, N-(2-(4'-Cyano-[1,1'-biphenyl]-4-yl)propyl)propane-2-sulfonamide, LY404187, LY 404187, LY-404187, CHEMBL435582, N-(2-(4'-cyanobiphenyl-4-yl)propyl)propane-2-sulfonamide, AK118969, C19H22N2O2S, N-2-(4-(4-Cyanophenyl)phenyl)propyl 2-propanesulfonamide, N-[2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide, N-{2-[4-(4-cyanophenyl)phenyl]propyl}propane-2-sulfonamide, 2-Propanesulfonamide, N-(2-(4'-cyano(1,1'-biphenyl)-4-yl)propyl)-, 2-Propanesulfonamide, N-[2-(4'-cyano[1,1'-biphenyl]-4-yl)propyl]-, GTPL4249, QCR-19, SCHEMBL2134262, AOB1298, DTXSID00432983, SYN5053, BCP06868, EX-A2611, KS-00000R0B, 0790AB, BDBM50094024, MFCD07364003, AKOS016000577, API0019027, NCGC00370739-04, AS-16419, AX8244385, ST2419641, 4CH-016028, LY-404,187, N-[2-(4'-Cyano[1,1'-biphenyl]-4-yl)propyl]-2-propanesulfonamide, N-[2-(4'-Cyano[1,1'-biphenyl]-4-yl)propyl]propane-2-sulfonamide, propane-2-sulfonic acid [2-(4''-cyano-biphenyl-4-yl)-propyl]-amide, (+/-) Propane-2-sulfonic acid [2-(4''-cyano-biphenyl-4-yl)-propyl]-amide, UNII-75W6I8W6OU, 75W6I8W6OU, HOQAVGZLYRYHSO-UHFFFAOYSA-N, CID9928016, 'N-(2-(4''-Cyano-[1,1''-biphenyl]-4-yl)propyl)propane-2-sulfonamide',

Complexity	527
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	342.14g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	342.457g/mol
Monoisotopic Mass	342.14g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	78.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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