4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide

C12H12BrClN2O2S — CID 62963448

IUPAC4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H12BrClN2O2S/c13-9-4-5-12(10(14)6-9)19(17,18)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3H2
InChIKeyPAERMSTXWZFLBI-UHFFFAOYSA-N
MW363.66 g/mol
LogP3.07
Rot. Bonds3

About 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide (PubChem CID 62963448) has the molecular formula C12H12BrClN2O2S and a molecular weight of 363.66 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
PubChem CID62963448
Molecular FormulaC12H12BrClN2O2S
Molecular Weight363.66 g/mol
Exact Mass361.95
IUPAC Name4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H12BrClN2O2S/c13-9-4-5-12(10(14)6-9)19(17,18)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3H2
InChIKeyPAERMSTXWZFLBI-UHFFFAOYSA-N
XLogP3.07
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.66
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62960903
3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
CID 62963627
2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62961818
2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide
CID 62962177
4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 115695674
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086
4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
CID 63362034
N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 101252932

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide (CID 62963448) is 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide is N#CC1CCCC1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide?
The InChIKey is PAERMSTXWZFLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2S/c13-9-4-5-12(10(14)6-9)19(17,18)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3H2.
What are the key properties of 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide has a molecular weight of 363.66 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide is sourced from PubChem (CID 62963448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).