N- (4-bromophenyl) ethanesulfonamide

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CAS Number

57616-20-3

MDL Number

MFCD01364790

Smiles

C1c (ccc (c1) Br) NS (=O) (=O) CC

Chemical Information

N-(4-bromophenyl)ethanesulfonamide

CAS Number	57616-20-3
PubChem CID	767437
IUPAC Name	N-(4-bromophenyl)ethanesulfonamide
Molecular Formula	C8H10BrNO2S
Molecular Weight	264.14
XLogP	1.9
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	239

SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H10BrNO2S/c1-2-13(11,12)10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3

InChIKey

SVNPZSSGWFEJDU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57616-20-3

CID: 767437

Formula: C8H10BrNO2S

MW: 264.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.14
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	262.96156
Monoisotopic Mass	262.96156
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	239
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
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OR1025062-01	N- (4-Bromophenyl) Formamide
OR80376-01	N- (4-Bromophenyl) methanesulfonamide

Catalog	Name
sc-341358A	2-amino-N- (4-fluorobenzyl) ethanesulfonamide hydrochloride
sc-341350A	2-amino-N- (3-fluoro-4-methylphenyl) ethanesulfonamide hydrochloride
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MBS6112866-01	Naratriptan-d3 (N-Methyl-2-[3-(1-methyl-d3-4-piperidyl)-1H-indol-5-yl]-ethanesulfonamide, Amerge)
N0200-10	Naratriptan-d3 (N-Methyl-2-[3- (1-methyl-d3-4-piperidyl) -1H-indol-5-yl]-ethanesulfonamide, Amerge)
017070	N-Methyl-1- (phenylmethyl) -3- (1,2,3,6-tetrahydro-1-methyl-4-pyridinyl) -1H-indole-5-ethanesulfonamide
TRC-M338734-75MG	N-Methyl-2-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)-N-(2-(N-methylsulfamoyl)ethyl)ethanesulfonamide
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275462-01	Ethanesulfonamide