2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide

C13H19N3O4S — CID 62146579

IUPAC2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1
InChIInChI=1S/C13H19N3O4S/c1-9-3-2-4-10(7-9)15-21(19,20)13-8-11(16(17)18)5-6-12(13)14/h5-6,8-10,15H,2-4,7,14H2,1H3
InChIKeyISXFEYVGSWUHPL-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.03
Rot. Bonds4

About 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide

2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide (PubChem CID 62146579) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
PubChem CID62146579
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1
InChIInChI=1S/C13H19N3O4S/c1-9-3-2-4-10(7-9)15-21(19,20)13-8-11(16(17)18)5-6-12(13)14/h5-6,8-10,15H,2-4,7,14H2,1H3
InChIKeyISXFEYVGSWUHPL-UHFFFAOYSA-N
XLogP2.03
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide 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

2-methyl-N-(3-methylcyclopentyl)-5-nitrobenzenesulfonamide
CID 114545232
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
3-amino-4-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 81466551
N-cyclobutyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 62415030
2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
CID 4115562
N-cyclobutyl-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62413872
2-amino-5-nitro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62147944
2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide
CID 62143602
2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
CID 62148445
3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide
CID 54922898
2-bromo-N-(3-methylcyclohexyl)-4-nitroaniline
CID 43742254

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide (CID 62146579) is 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide is CC1CCCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1.
What is the InChIKey of 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide?
The InChIKey is ISXFEYVGSWUHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-3-2-4-10(7-9)15-21(19,20)13-8-11(16(17)18)5-6-12(13)14/h5-6,8-10,15H,2-4,7,14H2,1H3.
What are the key properties of 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide?
2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 62146579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).