3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide

C14H21ClN2O2S — CID 114552139

IUPAC3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccc(Cl)c(CN)c2)C1
InChIInChI=1S/C14H21ClN2O2S/c1-14(2)6-5-11(8-14)17-20(18,19)12-3-4-13(15)10(7-12)9-16/h3-4,7,11,17H,5-6,8-9,16H2,1-2H3
InChIKeyAIUKUXQCQUXAEX-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.66
Rot. Bonds4

About 3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide

3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide (PubChem CID 114552139) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
PubChem CID114552139
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccc(Cl)c(CN)c2)C1
InChIInChI=1S/C14H21ClN2O2S/c1-14(2)6-5-11(8-14)17-20(18,19)12-3-4-13(15)10(7-12)9-16/h3-4,7,11,17H,5-6,8-9,16H2,1-2H3
InChIKeyAIUKUXQCQUXAEX-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

4-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-3-methylbenzenesulfonamide
CID 106919518
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 102921092
3-(aminomethyl)-4-chloro-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 106059892
N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422453
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
CID 106066129
5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
3-(aminomethyl)-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218648
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545500
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide (CID 114552139) is 3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide is CC1(C)CCC(NS(=O)(=O)c2ccc(Cl)c(CN)c2)C1.
What is the InChIKey of 3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
The InChIKey is AIUKUXQCQUXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-14(2)6-5-11(8-14)17-20(18,19)12-3-4-13(15)10(7-12)9-16/h3-4,7,11,17H,5-6,8-9,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.66, 4 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-(3,3-dimethylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114552139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).