1,1-diphenyl-3-(2-sulfamoylphenyl)urea

C19H17N3O3S — CID 3622343

IUPAC1,1-diphenyl-3-(2-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccccc1NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O3S/c20-26(24,25)18-14-8-7-13-17(18)21-19(23)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,23)(H2,20,24,25)
InChIKeyOGLWLXHYZCDFOP-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.70
Rot. Bonds4

About 1,1-diphenyl-3-(2-sulfamoylphenyl)urea

1,1-diphenyl-3-(2-sulfamoylphenyl)urea (PubChem CID 3622343) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1,1-diphenyl-3-(2-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1,1-diphenyl-3-(2-sulfamoylphenyl)urea
PubChem CID3622343
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name1,1-diphenyl-3-(2-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccccc1NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O3S/c20-26(24,25)18-14-8-7-13-17(18)21-19(23)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,23)(H2,20,24,25)
InChIKeyOGLWLXHYZCDFOP-UHFFFAOYSA-N
XLogP3.70
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-(2-sulfamoylphenyl)urea?
The IUPAC name of 1,1-diphenyl-3-(2-sulfamoylphenyl)urea (CID 3622343) is 1,1-diphenyl-3-(2-sulfamoylphenyl)urea.
What is the SMILES notation for 1,1-diphenyl-3-(2-sulfamoylphenyl)urea?
The canonical SMILES for 1,1-diphenyl-3-(2-sulfamoylphenyl)urea is NS(=O)(=O)c1ccccc1NC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-(2-sulfamoylphenyl)urea?
The InChIKey is OGLWLXHYZCDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c20-26(24,25)18-14-8-7-13-17(18)21-19(23)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,23)(H2,20,24,25).
What are the key properties of 1,1-diphenyl-3-(2-sulfamoylphenyl)urea?
1,1-diphenyl-3-(2-sulfamoylphenyl)urea has a molecular weight of 367.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-(2-sulfamoylphenyl)urea is sourced from PubChem (CID 3622343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).