2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide

C15H24N2O2S — CID 61466874

IUPAC2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2c(C)cccc2N)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-12-7-9-13(10-8-12)17-20(18,19)15-11(2)5-4-6-14(15)16/h4-6,12-13,17H,3,7-10,16H2,1-2H3
InChIKeyGHOLJJKEEYXVDJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.82
Rot. Bonds4

About 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide

2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide (PubChem CID 61466874) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide
PubChem CID61466874
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2c(C)cccc2N)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-12-7-9-13(10-8-12)17-20(18,19)15-11(2)5-4-6-14(15)16/h4-6,12-13,17H,3,7-10,16H2,1-2H3
InChIKeyGHOLJJKEEYXVDJ-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide (CID 61466874) is 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide is CCC1CCC(NS(=O)(=O)c2c(C)cccc2N)CC1.
What is the InChIKey of 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide?
The InChIKey is GHOLJJKEEYXVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-12-7-9-13(10-8-12)17-20(18,19)15-11(2)5-4-6-14(15)16/h4-6,12-13,17H,3,7-10,16H2,1-2H3.
What are the key properties of 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide?
2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 61466874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).