3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide

C15H23ClN2O2S — CID 106069106

IUPAC3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCC(C)C2C)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-10-4-7-15(11(10)2)18-21(19,20)13-6-5-12(9-17-3)14(16)8-13/h5-6,8,10-11,15,17-18H,4,7,9H2,1-3H3
InChIKeyGSOWLMZGQKBVBL-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.77
Rot. Bonds5

About 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide

3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 106069106) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID106069106
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCC(C)C2C)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-10-4-7-15(11(10)2)18-21(19,20)13-6-5-12(9-17-3)14(16)8-13/h5-6,8,10-11,15,17-18H,4,7,9H2,1-3H3
InChIKeyGSOWLMZGQKBVBL-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106069133
N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 64920857
3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 107091648
3-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
5,6-dichloro-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64908038
3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091650
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64910233
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide (CID 106069106) is 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC2CCC(C)C2C)cc1Cl.
What is the InChIKey of 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is GSOWLMZGQKBVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-10-4-7-15(11(10)2)18-21(19,20)13-6-5-12(9-17-3)14(16)8-13/h5-6,8,10-11,15,17-18H,4,7,9H2,1-3H3.
What are the key properties of 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide?
3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106069106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).