4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide

C19H16N4O7S2 — CID 3455104

IUPAC4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1
InChIInChI=1S/C19H16N4O7S2/c20-31(27,28)17-5-1-3-15(11-17)21-19(24)13-7-9-14(10-8-13)22-32(29,30)18-6-2-4-16(12-18)23(25)26/h1-12,22H,(H,21,24)(H2,20,27,28)
InChIKeyIEWLGTZUTUKRBQ-UHFFFAOYSA-N
MW476.49 g/mol
LogP2.30
Rot. Bonds7

About 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide

4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide (PubChem CID 3455104) has the molecular formula C19H16N4O7S2 and a molecular weight of 476.49 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide
PubChem CID3455104
Molecular FormulaC19H16N4O7S2
Molecular Weight476.49 g/mol
Exact Mass476.05
IUPAC Name4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1
InChIInChI=1S/C19H16N4O7S2/c20-31(27,28)17-5-1-3-15(11-17)21-19(24)13-7-9-14(10-8-13)22-32(29,30)18-6-2-4-16(12-18)23(25)26/h1-12,22H,(H,21,24)(H2,20,27,28)
InChIKeyIEWLGTZUTUKRBQ-UHFFFAOYSA-N
XLogP2.30
TPSA178.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-nitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 3476048
(2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide
CID 162676069
3-[[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168278371
4-Amino-N-(4-sulfamoylphenyl)benzamide
CID 24692821
3-nitro-N-[(3-sulfamoylanilino)-sulfanylidenemethyl]benzamide
CID 4122371
4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}-N-(3-nitrophenyl)benzamide
CID 1243076
N-(3-sulfamoylphenyl)benzamide
CID 2812288
N-[3-(aminosulfonyl)phenyl]-3-nitrobenzamide
CID 2885800
N-(2,5-dimethylphenyl)-2-{[(2-methyl-5-nitrophenyl)sulfonyl]amino}benzamide
CID 2944628
4-benzamido-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide
CID 53234692
4-[(4-fluorobenzoyl)amino]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide
CID 53234695
4-[(6-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-N-hydroxybenzamide
CID 122186719

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide (CID 3455104) is 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1.
What is the InChIKey of 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is IEWLGTZUTUKRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O7S2/c20-31(27,28)17-5-1-3-15(11-17)21-19(24)13-7-9-14(10-8-13)22-32(29,30)18-6-2-4-16(12-18)23(25)26/h1-12,22H,(H,21,24)(H2,20,27,28).
What are the key properties of 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide?
4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 476.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrophenyl)sulfonylamino]-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 3455104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).