1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea

C12H15ClN2O3S — CID 744685

IUPAC1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea
SMILESO=C(NC1CCCC1)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3S/c13-10-7-3-4-8-11(10)19(17,18)15-12(16)14-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,15,16)
InChIKeyJUHBFMAJILMEOE-UHFFFAOYSA-N
MW302.78 g/mol
LogP2.27
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea

1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea (PubChem CID 744685) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea
PubChem CID744685
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea
SMILESO=C(NC1CCCC1)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3S/c13-10-7-3-4-8-11(10)19(17,18)15-12(16)14-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,15,16)
InChIKeyJUHBFMAJILMEOE-UHFFFAOYSA-N
XLogP2.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea (CID 744685) is 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea is O=C(NC1CCCC1)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea?
The InChIKey is JUHBFMAJILMEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c13-10-7-3-4-8-11(10)19(17,18)15-12(16)14-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,15,16).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea?
1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea has a molecular weight of 302.78 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-cyclopentylurea is sourced from PubChem (CID 744685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).