1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea

C15H22N2O4S — CID 18497

IUPAC1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea
SMILESCC(O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19)
InChIKeyVQDAEOYLIBGCHE-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.06
Rot. Bonds4

About 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea

1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea (PubChem CID 18497) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea
PubChem CID18497
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea
SMILESCC(O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19)
InChIKeyVQDAEOYLIBGCHE-UHFFFAOYSA-N
XLogP2.06
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea (CID 18497) is 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea is CC(O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea?
The InChIKey is VQDAEOYLIBGCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea?
1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea has a molecular weight of 326.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea is sourced from PubChem (CID 18497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).