1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea

C15H14N4O6S — CID 2207232

IUPAC1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
SMILESCC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N4O6S/c1-10(20)11-2-4-12(5-3-11)16-15(21)17-18-26(24,25)14-8-6-13(7-9-14)19(22)23/h2-9,18H,1H3,(H2,16,17,21)
InChIKeyHGYCGLNGAFWPDB-UHFFFAOYSA-N
MW378.37 g/mol
LogP1.81
Rot. Bonds6

About 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea

1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea (PubChem CID 2207232) has the molecular formula C15H14N4O6S and a molecular weight of 378.37 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
PubChem CID2207232
Molecular FormulaC15H14N4O6S
Molecular Weight378.37 g/mol
Exact Mass378.06
IUPAC Name1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
SMILESCC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N4O6S/c1-10(20)11-2-4-12(5-3-11)16-15(21)17-18-26(24,25)14-8-6-13(7-9-14)19(22)23/h2-9,18H,1H3,(H2,16,17,21)
InChIKeyHGYCGLNGAFWPDB-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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'}

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Related Compounds

4-(3-(4-Acetylphenyl)ureido)benzenesulfonamide
CID 27870796
4-nitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 3476048
N-{[(4-nitrophenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11164855
N-{[(4-acetylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11463026
4-[[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168283940
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide
CID 3138395
N-[[(4-methylphenyl)sulfonylamino]carbamothioyl]-4-nitrobenzamide
CID 3138401
N-(4-acetylphenyl)-4-nitrobenzenesulfonamide
CID 224497
4-Nitro-N'-(4-nitrobenzoyl)benzenesulfonohydrazide
CID 3089471
N-(4-acetylphenyl)-2-[(4-fluorophenyl)sulfonyl]hydrazinecarboxamide
CID 2207927
N-(4-{[2-(4-nitrobenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 3099051

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea (CID 2207232) is 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea is CC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea?
The InChIKey is HGYCGLNGAFWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6S/c1-10(20)11-2-4-12(5-3-11)16-15(21)17-18-26(24,25)14-8-6-13(7-9-14)19(22)23/h2-9,18H,1H3,(H2,16,17,21).
What are the key properties of 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea?
1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea has a molecular weight of 378.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea is sourced from PubChem (CID 2207232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).