2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide

C12H15ClN2O4S — CID 4115562

IUPAC2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C12H15ClN2O4S/c13-11-7-6-10(15(16)17)8-12(11)20(18,19)14-9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKeySNHOZQYKCQEKBG-UHFFFAOYSA-N
MW318.78 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide

2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide (PubChem CID 4115562) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
PubChem CID4115562
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C12H15ClN2O4S/c13-11-7-6-10(15(16)17)8-12(11)20(18,19)14-9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKeySNHOZQYKCQEKBG-UHFFFAOYSA-N
XLogP2.86
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclohexyl-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-chloro-5-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685707
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
2-chloro-N-(1,1-dioxothiolan-3-yl)-5-nitrobenzenesulfonamide
CID 43389408
N-cycloheptyl-3-nitrobenzenesulfonamide
CID 19203727
N-cyclobutyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 62415030
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
N-cyclobutyl-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62413872
2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
CID 4798614
2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide
CID 113485393
2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
CID 62146579

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide (CID 4115562) is 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide?
The InChIKey is SNHOZQYKCQEKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-11-7-6-10(15(16)17)8-12(11)20(18,19)14-9-4-2-1-3-5-9/h6-9,14H,1-5H2.
What are the key properties of 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide?
2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide has a molecular weight of 318.78 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 4115562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).