3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide

C12H17ClN2O2S — CID 63277688

IUPAC3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H17ClN2O2S/c1-8-3-2-4-12(8)15-18(16,17)9-5-6-10(13)11(14)7-9/h5-8,12,15H,2-4,14H2,1H3
InChIKeyIDCOTJQXQLZSGL-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide

3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 63277688) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID63277688
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H17ClN2O2S/c1-8-3-2-4-12(8)15-18(16,17)9-5-6-10(13)11(14)7-9/h5-8,12,15H,2-4,14H2,1H3
InChIKeyIDCOTJQXQLZSGL-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
6-amino-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 63279308
6-amino-5-chloro-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 64608315
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257649
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide (CID 63277688) is 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide is CC1CCCC1NS(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is IDCOTJQXQLZSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8-3-2-4-12(8)15-18(16,17)9-5-6-10(13)11(14)7-9/h5-8,12,15H,2-4,14H2,1H3.
What are the key properties of 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide?
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 63277688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).