3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide

C15H24N2O3S — CID 79865271

IUPAC3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2(C)C)cc1N
InChIInChI=1S/C15H24N2O3S/c1-15(2)9-5-4-6-14(15)17-21(18,19)11-7-8-13(20-3)12(16)10-11/h7-8,10,14,17H,4-6,9,16H2,1-3H3
InChIKeyCUUCPWDHSBWAIN-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide

3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide (PubChem CID 79865271) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
PubChem CID79865271
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2(C)C)cc1N
InChIInChI=1S/C15H24N2O3S/c1-15(2)9-5-4-6-14(15)17-21(18,19)11-7-8-13(20-3)12(16)10-11/h7-8,10,14,17H,4-6,9,16H2,1-3H3
InChIKeyCUUCPWDHSBWAIN-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide
CID 81438418
4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 79861704
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
4-[(2,2-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 79871097
3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide
CID 59891712
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598
N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
CID 79873051
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide (CID 79865271) is 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCCC2(C)C)cc1N.
What is the InChIKey of 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide?
The InChIKey is CUUCPWDHSBWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2)9-5-4-6-14(15)17-21(18,19)11-7-8-13(20-3)12(16)10-11/h7-8,10,14,17H,4-6,9,16H2,1-3H3.
What are the key properties of 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide?
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 79865271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).