2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C14H21ClN2O2S — CID 79110620

IUPAC2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-16-11-7-9-12(10-8-11)17(2)20(18,19)14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyGNCVOJCUOWKOGS-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.49
Rot. Bonds4

About 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79110620) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79110620
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-16-11-7-9-12(10-8-11)17(2)20(18,19)14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyGNCVOJCUOWKOGS-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79110620) is 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(N(C)S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is GNCVOJCUOWKOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-16-11-7-9-12(10-8-11)17(2)20(18,19)14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79110620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).