3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide

C14H21ClN2O2S — CID 106066129

IUPAC3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(CN)c1)C1CCCC1
InChIInChI=1S/C14H21ClN2O2S/c1-10(11-4-2-3-5-11)17-20(18,19)13-6-7-14(15)12(8-13)9-16/h6-8,10-11,17H,2-5,9,16H2,1H3
InChIKeyLHBZSIFUUHMGNQ-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.66
Rot. Bonds5

About 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide

3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide (PubChem CID 106066129) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
PubChem CID106066129
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(CN)c1)C1CCCC1
InChIInChI=1S/C14H21ClN2O2S/c1-10(11-4-2-3-5-11)17-20(18,19)13-6-7-14(15)12(8-13)9-16/h6-8,10-11,17H,2-5,9,16H2,1H3
InChIKeyLHBZSIFUUHMGNQ-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
6-(aminomethyl)-N-(1-cyclopentylethyl)pyridine-3-sulfonamide
CID 114613542
3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
CID 167339915
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
4-chloro-3-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030109
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114552139

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide (CID 106066129) is 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)c(CN)c1)C1CCCC1.
What is the InChIKey of 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide?
The InChIKey is LHBZSIFUUHMGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10(11-4-2-3-5-11)17-20(18,19)13-6-7-14(15)12(8-13)9-16/h6-8,10-11,17H,2-5,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide?
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide is sourced from PubChem (CID 106066129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).