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

C15H14FN3O4S — CID 2207927

IUPAC1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea
SMILESCC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O4S/c1-10(20)11-2-6-13(7-3-11)17-15(21)18-19-24(22,23)14-8-4-12(16)5-9-14/h2-9,19H,1H3,(H2,17,18,21)
InChIKeyGMSKWOJZKUKVBD-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.04
Rot. Bonds5

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

1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea (PubChem CID 2207927) has the molecular formula C15H14FN3O4S and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea
PubChem CID2207927
Molecular FormulaC15H14FN3O4S
Molecular Weight351.36 g/mol
Exact Mass351.07
IUPAC Name1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea
SMILESCC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O4S/c1-10(20)11-2-6-13(7-3-11)17-15(21)18-19-24(22,23)14-8-4-12(16)5-9-14/h2-9,19H,1H3,(H2,17,18,21)
InChIKeyGMSKWOJZKUKVBD-UHFFFAOYSA-N
XLogP2.04
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-(4-Acetylphenyl)ureido)benzenesulfonamide
CID 27870796
N-{[(4-phenylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11407223
N-{[(4-acetylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11463026
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]cyclopropanecarboxamide
CID 1013377
1-(4-Acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
CID 2207232
1-(4-Acetylphenyl)-3-(3-sulfamoylphenyl)urea
CID 38159448
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]acetamide
CID 777181
1-(4-Benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
CID 11774586
2-(4-acetylphenyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 7245959
N-[4-({[(4-acetylphenyl)amino]carbonyl}amino)phenyl]-4-methylbenzenesulfonamide
CID 1295794
1-[4-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 16738141
1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 16738351

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea (CID 2207927) is 1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea is CC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea?
The InChIKey is GMSKWOJZKUKVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4S/c1-10(20)11-2-6-13(7-3-11)17-15(21)18-19-24(22,23)14-8-4-12(16)5-9-14/h2-9,19H,1H3,(H2,17,18,21).
What are the key properties of 1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea?
1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea has a molecular weight of 351.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(4-fluorophenyl)sulfonylamino]urea is sourced from PubChem (CID 2207927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).