2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide

C14H22N2O2S — CID 55043701

IUPAC2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC1(C)CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-14(10-6-3-7-11-14)16-19(17,18)13-9-5-4-8-12(13)15-2/h4-5,8-9,15-16H,3,6-7,10-11H2,1-2H3
InChIKeyJCQVVXCKOZOACV-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.73
Rot. Bonds4

About 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide

2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide (PubChem CID 55043701) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide
PubChem CID55043701
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC1(C)CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-14(10-6-3-7-11-14)16-19(17,18)13-9-5-4-8-12(13)15-2/h4-5,8-9,15-16H,3,6-7,10-11H2,1-2H3
InChIKeyJCQVVXCKOZOACV-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide (CID 55043701) is 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide is CNc1ccccc1S(=O)(=O)NC1(C)CCCCC1.
What is the InChIKey of 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide?
The InChIKey is JCQVVXCKOZOACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(10-6-3-7-11-14)16-19(17,18)13-9-5-4-8-12(13)15-2/h4-5,8-9,15-16H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide?
2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 55043701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).