4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide

C13H19ClN2O2S — CID 114545500

IUPAC4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(CN)c(Cl)c2)C1
InChIInChI=1S/C13H19ClN2O2S/c1-9-2-4-11(6-9)16-19(17,18)12-5-3-10(8-15)13(14)7-12/h3,5,7,9,11,16H,2,4,6,8,15H2,1H3
InChIKeyJZSWCIRCFLJWOC-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.27
Rot. Bonds4

About 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide

4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114545500) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114545500
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(CN)c(Cl)c2)C1
InChIInChI=1S/C13H19ClN2O2S/c1-9-2-4-11(6-9)16-19(17,18)12-5-3-10(8-15)13(14)7-12/h3,5,7,9,11,16H,2,4,6,8,15H2,1H3
InChIKeyJZSWCIRCFLJWOC-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 114546629
3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 107091648
3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552033
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106610863
3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551861
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114545500) is 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(CN)c(Cl)c2)C1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is JZSWCIRCFLJWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-2-4-11(6-9)16-19(17,18)12-5-3-10(8-15)13(14)7-12/h3,5,7,9,11,16H,2,4,6,8,15H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide?
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114545500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).