3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide

C15H24N2O3S — CID 64734598

IUPAC3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(C)CC(C)C2)cc1N
InChIInChI=1S/C15H24N2O3S/c1-10-6-11(2)8-12(7-10)17-21(18,19)13-4-5-15(20-3)14(16)9-13/h4-5,9-12,17H,6-8,16H2,1-3H3
InChIKeyBCWULNGIJDNURU-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.38
Rot. Bonds4

About 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide

3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide (PubChem CID 64734598) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
PubChem CID64734598
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(C)CC(C)C2)cc1N
InChIInChI=1S/C15H24N2O3S/c1-10-6-11(2)8-12(7-10)17-21(18,19)13-4-5-15(20-3)14(16)9-13/h4-5,9-12,17H,6-8,16H2,1-3H3
InChIKeyBCWULNGIJDNURU-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271
3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 63996216
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
CID 114118595
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide (CID 64734598) is 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC(C)CC(C)C2)cc1N.
What is the InChIKey of 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide?
The InChIKey is BCWULNGIJDNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-6-11(2)8-12(7-10)17-21(18,19)13-4-5-15(20-3)14(16)9-13/h4-5,9-12,17H,6-8,16H2,1-3H3.
What are the key properties of 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide?
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 64734598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).