1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea

C15H17N3O3S — CID 4229592

IUPAC1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H17N3O3S/c16-22(20,21)14-8-6-12(7-9-14)10-11-17-15(19)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyCQMWNAHSFVPGJL-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.70
Rot. Bonds5

About 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 4229592) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID4229592
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H17N3O3S/c16-22(20,21)14-8-6-12(7-9-14)10-11-17-15(19)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyCQMWNAHSFVPGJL-UHFFFAOYSA-N
XLogP1.70
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 4229592) is 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is CQMWNAHSFVPGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-22(20,21)14-8-6-12(7-9-14)10-11-17-15(19)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 319.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 4229592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).