4-amino-N-(1-methylcyclohexyl)benzenesulfonamide

C13H20N2O2S — CID 55207677

IUPAC4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(N)cc2)CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-13(9-3-2-4-10-13)15-18(16,17)12-7-5-11(14)6-8-12/h5-8,15H,2-4,9-10,14H2,1H3
InChIKeyFGWNLPLIYNRDCB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.27
Rot. Bonds3

About 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide

4-amino-N-(1-methylcyclohexyl)benzenesulfonamide (PubChem CID 55207677) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
PubChem CID55207677
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(N)cc2)CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-13(9-3-2-4-10-13)15-18(16,17)12-7-5-11(14)6-8-12/h5-8,15H,2-4,9-10,14H2,1H3
InChIKeyFGWNLPLIYNRDCB-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide 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

Sulfanilamide
CID 5333
Sulfacetamide
CID 5320
Sulfabenz
CID 31390
p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 3-amino-N-phenyl-
CID 66454
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
4-Methylbenzenesulfonic acid 2-phenylhydrazide
CID 207054
4-amino-N-methylbenzene-1-sulfonamide
CID 74368
4'-Amino-1,1'-biphenyl-4-sulfonamide
CID 4961927
2',4'-Dimethylbenzenesulfonanilide
CID 295226
Disulphane
CID 68351
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide (CID 55207677) is 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide is CC1(NS(=O)(=O)c2ccc(N)cc2)CCCCC1.
What is the InChIKey of 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide?
The InChIKey is FGWNLPLIYNRDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(9-3-2-4-10-13)15-18(16,17)12-7-5-11(14)6-8-12/h5-8,15H,2-4,9-10,14H2,1H3.
What are the key properties of 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide?
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 55207677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).