3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide

C14H19ClN2O4S — CID 167339915

IUPAC3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O4S/c1-10(11-5-3-2-4-6-11)16-22(20,21)12-7-8-14(17(18)19)13(15)9-12/h7-11,16H,2-6H2,1H3
InChIKeyYHNCFZSDQFHDRC-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.50
Rot. Bonds5

About 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide

3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide (PubChem CID 167339915) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
PubChem CID167339915
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O4S/c1-10(11-5-3-2-4-6-11)16-22(20,21)12-7-8-14(17(18)19)13(15)9-12/h7-11,16H,2-6H2,1H3
InChIKeyYHNCFZSDQFHDRC-UHFFFAOYSA-N
XLogP3.50
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.50
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 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide (CID 167339915) is 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide is CC(NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1.
What is the InChIKey of 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide?
The InChIKey is YHNCFZSDQFHDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-10(11-5-3-2-4-6-11)16-22(20,21)12-7-8-14(17(18)19)13(15)9-12/h7-11,16H,2-6H2,1H3.
What are the key properties of 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide?
3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide has a molecular weight of 346.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 167339915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).