4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide

C18H14N2O6S — CID 31579159

IUPAC4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1O
InChIInChI=1S/C18H14N2O6S/c21-17-11-10-14(12-16(17)20(22)23)27(24,25)19-15-8-4-5-9-18(15)26-13-6-2-1-3-7-13/h1-12,19,21H
InChIKeyXNDRRWKNVIFOJZ-UHFFFAOYSA-N
MW386.39 g/mol
LogP3.89
Rot. Bonds6

About 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide

4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide (PubChem CID 31579159) has the molecular formula C18H14N2O6S and a molecular weight of 386.39 g/mol. Its IUPAC name is 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
PubChem CID31579159
Molecular FormulaC18H14N2O6S
Molecular Weight386.39 g/mol
Exact Mass386.06
IUPAC Name4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1O
InChIInChI=1S/C18H14N2O6S/c21-17-11-10-14(12-16(17)20(22)23)27(24,25)19-15-8-4-5-9-18(15)26-13-6-2-1-3-7-13/h1-12,19,21H
InChIKeyXNDRRWKNVIFOJZ-UHFFFAOYSA-N
XLogP3.89
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)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

4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4801341
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 3768669
2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4142655
3-nitro-4-(2-phenoxyanilino)benzenesulfonamide
CID 22730653
N-(4-fluoro-2-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579700
2-nitro-4-phenoxyphenol
CID 10775849
3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
CID 2451069
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 43012060
N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
CID 60700422

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide (CID 31579159) is 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1O.
What is the InChIKey of 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
The InChIKey is XNDRRWKNVIFOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O6S/c21-17-11-10-14(12-16(17)20(22)23)27(24,25)19-15-8-4-5-9-18(15)26-13-6-2-1-3-7-13/h1-12,19,21H.
What are the key properties of 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide has a molecular weight of 386.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 31579159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).