N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide

C12H16BrNO2S — CID 115606541

IUPACN-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H16BrNO2S/c1-9-6-7-10(13)8-12(9)14-17(15,16)11-4-2-3-5-11/h6-8,11,14H,2-5H2,1H3
InChIKeyBEJKDUZLXUBGAY-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.44
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide

N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide (PubChem CID 115606541) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
PubChem CID115606541
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC NameN-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H16BrNO2S/c1-9-6-7-10(13)8-12(9)14-17(15,16)11-4-2-3-5-11/h6-8,11,14H,2-5H2,1H3
InChIKeyBEJKDUZLXUBGAY-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557
N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide
CID 104814646
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide
CID 103908703
5-bromo-2-methyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044140
N-(2,5-dimethylphenyl)piperidine-3-sulfonamide
CID 24699757
N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide
CID 104757256
N-(2-amino-4-methylphenyl)cyclopentanesulfonamide
CID 105360548
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide (CID 115606541) is N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide?
The InChIKey is BEJKDUZLXUBGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-9-6-7-10(13)8-12(9)14-17(15,16)11-4-2-3-5-11/h6-8,11,14H,2-5H2,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide?
N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide has a molecular weight of 318.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide is sourced from PubChem (CID 115606541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).