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

C12H17N3O3S — CID 27870443

IUPAC1-cyclopentyl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
InChIKeyQRZYENXYGGOPSS-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.40
Rot. Bonds3

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

1-cyclopentyl-3-(4-sulfamoylphenyl)urea (PubChem CID 27870443) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-sulfamoylphenyl)urea
PubChem CID27870443
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-cyclopentyl-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
InChIKeyQRZYENXYGGOPSS-UHFFFAOYSA-N
XLogP1.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-cyclopentyl-3-(4-sulfamoylphenyl)urea (CID 27870443) is 1-cyclopentyl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-(4-sulfamoylphenyl)urea?
The InChIKey is QRZYENXYGGOPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(4-sulfamoylphenyl)urea?
1-cyclopentyl-3-(4-sulfamoylphenyl)urea has a molecular weight of 283.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27870443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).