1-benzhydryl-3-(4-sulfamoylphenyl)urea

C20H19N3O3S — CID 27869350

IUPAC1-benzhydryl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S/c21-27(25,26)18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24)
InChIKeyALCSZUCTAIXDEP-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.25
Rot. Bonds5

About 1-benzhydryl-3-(4-sulfamoylphenyl)urea

1-benzhydryl-3-(4-sulfamoylphenyl)urea (PubChem CID 27869350) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-benzhydryl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(4-sulfamoylphenyl)urea
PubChem CID27869350
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name1-benzhydryl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S/c21-27(25,26)18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24)
InChIKeyALCSZUCTAIXDEP-UHFFFAOYSA-N
XLogP3.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-benzhydryl-3-(4-sulfamoylphenyl)urea (CID 27869350) is 1-benzhydryl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-benzhydryl-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-3-(4-sulfamoylphenyl)urea?
The InChIKey is ALCSZUCTAIXDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c21-27(25,26)18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24).
What are the key properties of 1-benzhydryl-3-(4-sulfamoylphenyl)urea?
1-benzhydryl-3-(4-sulfamoylphenyl)urea has a molecular weight of 381.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27869350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).