3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C15H23ClN2O2S — CID 79118279

IUPAC3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-11-14(16)5-4-6-15(11)21(19,20)18(3)13-9-7-12(17-2)8-10-13/h4-6,12-13,17H,7-10H2,1-3H3
InChIKeyGAPUFRKYAVZQST-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.80
Rot. Bonds4

About 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79118279) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79118279
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-11-14(16)5-4-6-15(11)21(19,20)18(3)13-9-7-12(17-2)8-10-13/h4-6,12-13,17H,7-10H2,1-3H3
InChIKeyGAPUFRKYAVZQST-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79110620
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118122
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116751
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 113351322
3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598659
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79118279) is 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2C)CC1.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is GAPUFRKYAVZQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-11-14(16)5-4-6-15(11)21(19,20)18(3)13-9-7-12(17-2)8-10-13/h4-6,12-13,17H,7-10H2,1-3H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79118279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).