AG005UPO

6971-74-0 | Benzamide, N-​[(4-​methylphenyl)​sulfonyl]​-

AG005UPO

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CAS Number	6971-74-0
Catalog Number	AG005UPO(AGN-PC-0JLT91)
Chemical Name	Benzamide, N-​[(4-​methylphenyl)​sulfonyl]​-
EC Number	230-202-6
IUPAC Name	N-(4-methylphenyl)sulfonylbenzamide
InChI	InChI=1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
InChI Key	SGJFNRQZMRIAJP-UHFFFAOYSA-N
MDL Number	MFCD00431862
Molecular Formula	C14H13NO3S
Molecular Weight	275.3229
NSC Number	67180
SMILES	S(=O)(=O)(NC(=O)c1ccccc1)c1ccc(cc1)C
Synonyms	N-Tosylbenzamide, 6971-74-0, Benzamide, N-[(4-methylphenyl)sulfonyl]-, CHEMBL241150, N-[(4-methylphenyl)sulfonyl]benzamide, Benzamide, N-((4-methylphenyl)sulfonyl)-, N-BENZOYL-4-METHYL-BENZENESULFONAMIDE, NSC67180, EINECS 230-202-6, N-benzoyl-4-methylbenzenesulfonamide, NSC 67180, AC1Q2LKJ, AC1Q6U2Z, NCIOpen2_002916, Oprea1_203506, Oprea1_874102, N-(p-tolylsulfonyl)-benzamide, N-Benzoyl-p-toluenesulfonamide, AC1L31C3, SCHEMBL5931087, DTXSID2064527, CTK5D1046, N-((p-Tolyl)sulphonyl)benzamide, ZINC92231, N-(4-methylphenyl)sulfonylbenzamide, BDBM50212528, MFCD00431862, NSC-67180, AKOS001022054, CCG-250126, DS-7051, MCULE-1806992064, N-[(4-methylbenzene)sulfonyl]benzamide, AK140447, Benzamide,N-[(4-methylphenyl)sulfonyl]-, AJ-126294, SR-01000446765, SR-01000446765-1, BRD-K50927196-001-01-0, F0898-0188, C14H13NO3S, CID81439, C14-H13-N-O3-S, AR-1K6063, N-[(P-TOLYL)SULPHONYL]BENZAMIDE, 39062-72-1,

Complexity	399
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.062g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	275.322g/mol
Monoisotopic Mass	275.062g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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