N-(2-amino-6-methylphenyl)cyclohexanesulfonamide

C13H20N2O2S — CID 61065471

IUPACN-(2-amino-6-methylphenyl)cyclohexanesulfonamide
SMILESCc1cccc(N)c1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-10-6-5-9-12(14)13(10)15-18(16,17)11-7-3-2-4-8-11/h5-6,9,11,15H,2-4,7-8,14H2,1H3
InChIKeyHEELEAZYUFOWOX-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.65
Rot. Bonds3

About N-(2-amino-6-methylphenyl)cyclohexanesulfonamide

N-(2-amino-6-methylphenyl)cyclohexanesulfonamide (PubChem CID 61065471) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)cyclohexanesulfonamide
PubChem CID61065471
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-amino-6-methylphenyl)cyclohexanesulfonamide
SMILESCc1cccc(N)c1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-10-6-5-9-12(14)13(10)15-18(16,17)11-7-3-2-4-8-11/h5-6,9,11,15H,2-4,7-8,14H2,1H3
InChIKeyHEELEAZYUFOWOX-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-6-methylphenyl)cyclohexanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)cyclohexanesulfonamide?
The IUPAC name of N-(2-amino-6-methylphenyl)cyclohexanesulfonamide (CID 61065471) is N-(2-amino-6-methylphenyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)cyclohexanesulfonamide is Cc1cccc(N)c1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(2-amino-6-methylphenyl)cyclohexanesulfonamide?
The InChIKey is HEELEAZYUFOWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-6-5-9-12(14)13(10)15-18(16,17)11-7-3-2-4-8-11/h5-6,9,11,15H,2-4,7-8,14H2,1H3.
What are the key properties of N-(2-amino-6-methylphenyl)cyclohexanesulfonamide?
N-(2-amino-6-methylphenyl)cyclohexanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)cyclohexanesulfonamide is sourced from PubChem (CID 61065471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).