1-cyclopentyl-3-(4-methylphenyl)sulfonylurea

C13H18N2O3S — CID 3083671

IUPAC1-cyclopentyl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-10-6-8-12(9-7-10)19(17,18)15-13(16)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,14,15,16)
InChIKeySHVCKTUQDUTJDT-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.93
Rot. Bonds3

About 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea

1-cyclopentyl-3-(4-methylphenyl)sulfonylurea (PubChem CID 3083671) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-methylphenyl)sulfonylurea
PubChem CID3083671
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-cyclopentyl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-10-6-8-12(9-7-10)19(17,18)15-13(16)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,14,15,16)
InChIKeySHVCKTUQDUTJDT-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea (CID 3083671) is 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea?
The InChIKey is SHVCKTUQDUTJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-6-8-12(9-7-10)19(17,18)15-13(16)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea?
1-cyclopentyl-3-(4-methylphenyl)sulfonylurea has a molecular weight of 282.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 3083671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).