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

C15H23N3O3S — CID 841429

IUPAC1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H23N3O3S/c16-22(20,21)14-8-6-12(7-9-14)10-11-17-15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyNIMGDPRCIUIRNT-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.51
Rot. Bonds5

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

1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 841429) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID841429
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H23N3O3S/c16-22(20,21)14-8-6-12(7-9-14)10-11-17-15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyNIMGDPRCIUIRNT-UHFFFAOYSA-N
XLogP1.51
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 841429) is 1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is NIMGDPRCIUIRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c16-22(20,21)14-8-6-12(7-9-14)10-11-17-15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 325.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 841429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).