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

C13H19N3O3S — CID 1226644

IUPAC1-cyclohexyl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,14,18,19)(H2,15,16,17)
InChIKeyYZYYQFIKQDXGFB-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.79
Rot. Bonds3

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

1-cyclohexyl-3-(4-sulfamoylphenyl)urea (PubChem CID 1226644) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-sulfamoylphenyl)urea
PubChem CID1226644
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-cyclohexyl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,14,18,19)(H2,15,16,17)
InChIKeyYZYYQFIKQDXGFB-UHFFFAOYSA-N
XLogP1.79
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-sulfamoylphenyl)urea (CID 1226644) is 1-cyclohexyl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-sulfamoylphenyl)urea?
The InChIKey is YZYYQFIKQDXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,14,18,19)(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(4-sulfamoylphenyl)urea?
1-cyclohexyl-3-(4-sulfamoylphenyl)urea has a molecular weight of 297.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 1226644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).