1-phenyl-3-(3-sulfamoylphenyl)urea

C13H13N3O3S — CID 2812287

IUPAC1-phenyl-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-8-4-7-11(9-12)16-13(17)15-10-5-2-1-3-6-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
InChIKeyBXGWKSJDQKSXDR-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.98
Rot. Bonds3

About 1-phenyl-3-(3-sulfamoylphenyl)urea

1-phenyl-3-(3-sulfamoylphenyl)urea (PubChem CID 2812287) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-phenyl-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(3-sulfamoylphenyl)urea
PubChem CID2812287
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name1-phenyl-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-8-4-7-11(9-12)16-13(17)15-10-5-2-1-3-6-10/h1-9H,(H2,14,18,19)(H2,15,16,17)
InChIKeyBXGWKSJDQKSXDR-UHFFFAOYSA-N
XLogP1.98
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-phenyl-3-(3-sulfamoylphenyl)urea (CID 2812287) is 1-phenyl-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-phenyl-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-phenyl-3-(3-sulfamoylphenyl)urea is NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-(3-sulfamoylphenyl)urea?
The InChIKey is BXGWKSJDQKSXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-4-7-11(9-12)16-13(17)15-10-5-2-1-3-6-10/h1-9H,(H2,14,18,19)(H2,15,16,17).
What are the key properties of 1-phenyl-3-(3-sulfamoylphenyl)urea?
1-phenyl-3-(3-sulfamoylphenyl)urea has a molecular weight of 291.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 2812287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).