3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide

C15H24N2O2S — CID 28545115

IUPAC3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(C)CC2)cc(N)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-4-6-13(7-5-10)17-20(18,19)14-8-11(2)12(3)15(16)9-14/h8-10,13,17H,4-7,16H2,1-3H3
InChIKeyAQQDWCFPBXJLLI-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.74
Rot. Bonds3

About 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide

3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 28545115) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID28545115
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(C)CC2)cc(N)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-4-6-13(7-5-10)17-20(18,19)14-8-11(2)12(3)15(16)9-14/h8-10,13,17H,4-7,16H2,1-3H3
InChIKeyAQQDWCFPBXJLLI-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-5-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542872
3-amino-N-(1,1-dioxothian-3-yl)-4,5-dimethylbenzenesulfonamide
CID 63922894
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
1-(3-amino-4,5-dimethylphenyl)sulfonyl-3-cyclopropylurea
CID 116646439
3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351747
4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
3-amino-4-fluoro-5-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 115421285
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956
3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111370

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide (CID 28545115) is 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCC(C)CC2)cc(N)c1C.
What is the InChIKey of 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is AQQDWCFPBXJLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-4-6-13(7-5-10)17-20(18,19)14-8-11(2)12(3)15(16)9-14/h8-10,13,17H,4-7,16H2,1-3H3.
What are the key properties of 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide?
3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 28545115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).