N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide

C15H14N4O6S — CID 3099051

IUPACN-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N4O6S/c1-10(20)16-12-4-8-14(9-5-12)26(24,25)18-17-15(21)11-2-6-13(7-3-11)19(22)23/h2-9,18H,1H3,(H,16,20)(H,17,21)
InChIKeyYTYRWFKJCJRBPF-UHFFFAOYSA-N
MW378.37 g/mol
LogP1.18
Rot. Bonds6

About N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide

N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide (PubChem CID 3099051) has the molecular formula C15H14N4O6S and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide
PubChem CID3099051
Molecular FormulaC15H14N4O6S
Molecular Weight378.37 g/mol
Exact Mass378.06
IUPAC NameN-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N4O6S/c1-10(20)16-12-4-8-14(9-5-12)26(24,25)18-17-15(21)11-2-6-13(7-3-11)19(22)23/h2-9,18H,1H3,(H,16,20)(H,17,21)
InChIKeyYTYRWFKJCJRBPF-UHFFFAOYSA-N
XLogP1.18
TPSA147.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.18
H-Bond Donors ≤ 53
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 N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide 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-nitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 3476048
N-{[(4-nitrophenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11164855
(E)-2-cyano-3-(4-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 5765787
(2R)-N-hydroxy-1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpyrrolidine-2-carboxamide
CID 162676069
4-[[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168283940
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]cyclopropanecarboxamide
CID 1013377
1-(4-Acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
CID 2207232
N'-[(4-fluorophenyl)sulfonyl]-4-nitrobenzohydrazide
CID 3113467
4-Amino-N-(4-sulfamoylphenyl)benzamide
CID 24692821
N-[3-(aminosulfonyl)phenyl]-3-nitrobenzamide
CID 2885800
N'-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 3102012
N-(4-{[2-(2-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 730403

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide (CID 3099051) is N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide?
The InChIKey is YTYRWFKJCJRBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6S/c1-10(20)16-12-4-8-14(9-5-12)26(24,25)18-17-15(21)11-2-6-13(7-3-11)19(22)23/h2-9,18H,1H3,(H,16,20)(H,17,21).
What are the key properties of N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide?
N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide has a molecular weight of 378.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-nitrobenzoyl)amino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3099051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).