2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide

C13H10ClN3O5S — CID 1350235

IUPAC2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C13H10ClN3O5S/c14-12-7-9(17(19)20)3-6-11(12)13(18)16-8-1-4-10(5-2-8)23(15,21)22/h1-7H,(H,16,18)(H2,15,21,22)
InChIKeyRYNWTIXQTVFOEO-UHFFFAOYSA-N
MW355.76 g/mol
LogP2.15
Rot. Bonds4

About 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide

2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide (PubChem CID 1350235) has the molecular formula C13H10ClN3O5S and a molecular weight of 355.76 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
PubChem CID1350235
Molecular FormulaC13H10ClN3O5S
Molecular Weight355.76 g/mol
Exact Mass355.00
IUPAC Name2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C13H10ClN3O5S/c14-12-7-9(17(19)20)3-6-11(12)13(18)16-8-1-4-10(5-2-8)23(15,21)22/h1-7H,(H,16,18)(H2,15,21,22)
InChIKeyRYNWTIXQTVFOEO-UHFFFAOYSA-N
XLogP2.15
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 52.15
H-Bond Donors ≤ 52
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 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide 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

N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 10022521
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-2-chloro-4-nitrobenzamide
CID 1306199
2-chloro-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-nitrobenzamide
CID 100803493
N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508659
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide
CID 723709
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-5-nitrobenzoate
CID 5065869
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide (CID 1350235) is 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is RYNWTIXQTVFOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O5S/c14-12-7-9(17(19)20)3-6-11(12)13(18)16-8-1-4-10(5-2-8)23(15,21)22/h1-7H,(H,16,18)(H2,15,21,22).
What are the key properties of 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide?
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 355.76 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 1350235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).