3-Acetylbenzenesulfonamide

CAT: 0926-KBA20388Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-KBA20388Size:2.5 g

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CAS Number

35203-88-4

MDL Number

MFCD06409181

Smiles

CC (=O) C1=CC (=CC=C1) S (=O) (=O) N

Molecular Formula

C8H9NO3S

Molecular Weight

199.22 g/mol

Controlled

Chemical Information

3-Acetylbenzene-1-sulfonamide

CAS Number	35203-88-4
PubChem CID	12619796
IUPAC Name	3-acetylbenzenesulfonamide
Molecular Formula	C8H9NO3S
Molecular Weight	199.23
XLogP	0.3
Topological Polar Surface Area	85.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	291

SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N

InChI

InChI=1S/C8H9NO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)

InChIKey

ZLZNHLVBJWGUCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35203-88-4

CID: 12619796

Formula: C8H9NO3S

MW: 199.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.23
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	199.03031432
Monoisotopic Mass	199.03031432
Topological Polar Surface Area	85.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	291
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TXA55451-01	3- (3-Acetylbenzenesulfonamido) propanoic acid
MAC96552-01	2- (3-Acetylbenzenesulfonamido) -3-carbamoylpropanoic acid
WFC96298-01	2- (4-Acetylbenzenesulfonamido) -3-carbamoylpropanoic acid
IQB95860-01	2- (4-Acetylbenzenesulfonamido) propanoic acid
HFB22145-01	4- (4-Acetylbenzenesulfonamido) benzoic acid
MYB33561-01	(2S) -2- (4-Acetylbenzenesulfonamido) propanoic acid
XIB74409-01	4- (N-Methyl4-acetylbenzenesulfonamido) butanoic acid
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine

Catalog	Name
sc-346204A	3-acetylbenzenesulfonamide
TRC-A168620-500MG	4-Acetylbenzenesulfonamide
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
NU-456L	3',3',3'-cAAG
sc-261129	3,3,3-Trifluoropropionitrile
PC1007482-01	3,3,3-Trifluoropropanehydrazide
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
OR1043029-01	3,3',3''-Nitrilotripropanamide