5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide

C15H23ClN2O2S — CID 82879252

IUPAC5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)NC2CCCC2)c1C
InChIInChI=1S/C15H23ClN2O2S/c1-3-17-10-12-8-13(16)9-15(11(12)2)21(19,20)18-14-6-4-5-7-14/h8-9,14,17-18H,3-7,10H2,1-2H3
InChIKeyCRXJXQWCALXNOU-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.98
Rot. Bonds6

About 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide

5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide (PubChem CID 82879252) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
PubChem CID82879252
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)NC2CCCC2)c1C
InChIInChI=1S/C15H23ClN2O2S/c1-3-17-10-12-8-13(16)9-15(11(12)2)21(19,20)18-14-6-4-5-7-14/h8-9,14,17-18H,3-7,10H2,1-2H3
InChIKeyCRXJXQWCALXNOU-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891157
5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 82885254
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
5-chloro-3-(ethylaminomethyl)-2-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 82885354
5-chloro-N-cyclobutyl-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879050
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885173
5-chloro-N-(2,2-difluoroethyl)-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885091
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 106032746
5-chloro-3-(ethylaminomethyl)-2-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072508
3-(aminomethyl)-5-chloro-2-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 106065388

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide (CID 82879252) is 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide is CCNCc1cc(Cl)cc(S(=O)(=O)NC2CCCC2)c1C.
What is the InChIKey of 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
The InChIKey is CRXJXQWCALXNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-3-17-10-12-8-13(16)9-15(11(12)2)21(19,20)18-14-6-4-5-7-14/h8-9,14,17-18H,3-7,10H2,1-2H3.
What are the key properties of 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 82879252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).