4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide

C14H13N3O5S — CID 29200413

IUPAC4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H13N3O5S/c1-15-23(21,22)13-7-5-10(6-8-13)14(18)16-11-3-2-4-12(9-11)17(19)20/h2-9,15H,1H3,(H,16,18)
InChIKeyQEZIOEKGVTULIY-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.76
Rot. Bonds5

About 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide

4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide (PubChem CID 29200413) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
PubChem CID29200413
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H13N3O5S/c1-15-23(21,22)13-7-5-10(6-8-13)14(18)16-11-3-2-4-12(9-11)17(19)20/h2-9,15H,1H3,(H,16,18)
InChIKeyQEZIOEKGVTULIY-UHFFFAOYSA-N
XLogP1.76
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.76
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'}

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Related Compounds

4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 40742222
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
CID 2344490
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide
CID 1320507
N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 46650990
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
CID 17180814
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide (CID 29200413) is 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The InChIKey is QEZIOEKGVTULIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-15-23(21,22)13-7-5-10(6-8-13)14(18)16-11-3-2-4-12(9-11)17(19)20/h2-9,15H,1H3,(H,16,18).
What are the key properties of 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide?
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide has a molecular weight of 335.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 29200413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).