1-[N-(benzenesulfonyl)anilino]-3-phenylurea

C19H17N3O3S — CID 146401707

IUPAC1-[N-(benzenesulfonyl)anilino]-3-phenylurea
SMILESO=C(Nc1ccccc1)NN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N3O3S/c23-19(20-16-10-4-1-5-11-16)21-22(17-12-6-2-7-13-17)26(24,25)18-14-8-3-9-15-18/h1-15H,(H2,20,21,23)
InChIKeyDFTKAESVDRSVKW-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.62
Rot. Bonds5

About 1-[N-(benzenesulfonyl)anilino]-3-phenylurea

1-[N-(benzenesulfonyl)anilino]-3-phenylurea (PubChem CID 146401707) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[N-(benzenesulfonyl)anilino]-3-phenylurea.

Molecular Properties

Compound Name1-[N-(benzenesulfonyl)anilino]-3-phenylurea
PubChem CID146401707
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name1-[N-(benzenesulfonyl)anilino]-3-phenylurea
SMILESO=C(Nc1ccccc1)NN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N3O3S/c23-19(20-16-10-4-1-5-11-16)21-22(17-12-6-2-7-13-17)26(24,25)18-14-8-3-9-15-18/h1-15H,(H2,20,21,23)
InChIKeyDFTKAESVDRSVKW-UHFFFAOYSA-N
XLogP3.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-[N-(benzenesulfonyl)anilino]carbamate
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4-[benzamido(phenyl)sulfamoyl]benzoate
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N-[4-(diphenylsulfamoyl)phenyl]acetamide
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1,1-diphenyl-3-(phenylcarbamoyl)urea
CID 71359478
1-[N-(benzenesulfonyl)-4-sulfamoylanilino]-3-[3-[(2-imino-4-methylpiperazin-1-yl)methyl]phenyl]urea
CID 140603518
N,N',N'-triphenyloxamide
CID 54357836
1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068475
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
1-(4-chlorophenyl)-3-(N-phenylanilino)urea
CID 4149546
N-(phenylcarbamoyl)sulfamoyl chloride
CID 22179270
1-(3-chlorophenyl)-3-[4-[ethyl(phenyl)sulfamoyl]phenyl]urea
CID 1226694

Frequently Asked Questions

What is the IUPAC name of 1-[N-(benzenesulfonyl)anilino]-3-phenylurea?
The IUPAC name of 1-[N-(benzenesulfonyl)anilino]-3-phenylurea (CID 146401707) is 1-[N-(benzenesulfonyl)anilino]-3-phenylurea.
What is the SMILES notation for 1-[N-(benzenesulfonyl)anilino]-3-phenylurea?
The canonical SMILES for 1-[N-(benzenesulfonyl)anilino]-3-phenylurea is O=C(Nc1ccccc1)NN(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[N-(benzenesulfonyl)anilino]-3-phenylurea?
The InChIKey is DFTKAESVDRSVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-19(20-16-10-4-1-5-11-16)21-22(17-12-6-2-7-13-17)26(24,25)18-14-8-3-9-15-18/h1-15H,(H2,20,21,23).
What are the key properties of 1-[N-(benzenesulfonyl)anilino]-3-phenylurea?
1-[N-(benzenesulfonyl)anilino]-3-phenylurea has a molecular weight of 367.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(benzenesulfonyl)anilino]-3-phenylurea is sourced from PubChem (CID 146401707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).