N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide

C19H16N2O5S — CID 7573996

IUPACN-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H16N2O5S/c1-14-7-8-15(21(22)23)13-19(14)20-27(24,25)18-11-9-17(10-12-18)26-16-5-3-2-4-6-16/h2-13,20H,1H3
InChIKeyIJDISIAMYSTUPT-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.50
Rot. Bonds6

About N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide

N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide (PubChem CID 7573996) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide
PubChem CID7573996
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC NameN-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H16N2O5S/c1-14-7-8-15(21(22)23)13-19(14)20-27(24,25)18-11-9-17(10-12-18)26-16-5-3-2-4-6-16/h2-13,20H,1H3
InChIKeyIJDISIAMYSTUPT-UHFFFAOYSA-N
XLogP4.50
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide 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 N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide (CID 7573996) is N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide?
The InChIKey is IJDISIAMYSTUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-14-7-8-15(21(22)23)13-19(14)20-27(24,25)18-11-9-17(10-12-18)26-16-5-3-2-4-6-16/h2-13,20H,1H3.
What are the key properties of N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide?
N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide has a molecular weight of 384.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 7573996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).