4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide

C14H12ClN3O5S — CID 49014176

IUPAC4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C14H12ClN3O5S/c1-24(22,23)17-13-7-9(5-6-12(13)15)14(19)16-10-3-2-4-11(8-10)18(20)21/h2-8,17H,1H3,(H,16,19)
InChIKeyBYMGFBLWETXMKF-UHFFFAOYSA-N
MW369.79 g/mol
LogP2.87
Rot. Bonds5

About 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide

4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide (PubChem CID 49014176) has the molecular formula C14H12ClN3O5S and a molecular weight of 369.79 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide
PubChem CID49014176
Molecular FormulaC14H12ClN3O5S
Molecular Weight369.79 g/mol
Exact Mass369.02
IUPAC Name4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C14H12ClN3O5S/c1-24(22,23)17-13-7-9(5-6-12(13)15)14(19)16-10-3-2-4-11(8-10)18(20)21/h2-8,17H,1H3,(H,16,19)
InChIKeyBYMGFBLWETXMKF-UHFFFAOYSA-N
XLogP2.87
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 52.87
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 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)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

3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
CID 92647267
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 49027316
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
N-(3-nitrophenyl)-3-(propan-2-ylsulfonylamino)benzamide
CID 13321986
2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide
CID 3092265
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-nitrophenyl)benzamide
CID 126416054
4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
CID 1121791

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide (CID 49014176) is 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide is CS(=O)(=O)Nc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide?
The InChIKey is BYMGFBLWETXMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O5S/c1-24(22,23)17-13-7-9(5-6-12(13)15)14(19)16-10-3-2-4-11(8-10)18(20)21/h2-8,17H,1H3,(H,16,19).
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide?
4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide has a molecular weight of 369.79 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 49014176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).