1-(benzenesulfonyl)-3-cyclohexylurea

C13H18N2O3S — CID 4561116

IUPAC1-(benzenesulfonyl)-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c16-13(14-11-7-3-1-4-8-11)15-19(17,18)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H2,14,15,16)
InChIKeyDNIIWANRGRGVRG-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.01
Rot. Bonds3

About 1-(benzenesulfonyl)-3-cyclohexylurea

1-(benzenesulfonyl)-3-cyclohexylurea (PubChem CID 4561116) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-cyclohexylurea
PubChem CID4561116
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-(benzenesulfonyl)-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c16-13(14-11-7-3-1-4-8-11)15-19(17,18)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H2,14,15,16)
InChIKeyDNIIWANRGRGVRG-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-cyclohexylurea?
The IUPAC name of 1-(benzenesulfonyl)-3-cyclohexylurea (CID 4561116) is 1-(benzenesulfonyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-cyclohexylurea?
The canonical SMILES for 1-(benzenesulfonyl)-3-cyclohexylurea is O=C(NC1CCCCC1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-cyclohexylurea?
The InChIKey is DNIIWANRGRGVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-13(14-11-7-3-1-4-8-11)15-19(17,18)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H2,14,15,16).
What are the key properties of 1-(benzenesulfonyl)-3-cyclohexylurea?
1-(benzenesulfonyl)-3-cyclohexylurea has a molecular weight of 282.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-cyclohexylurea is sourced from PubChem (CID 4561116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).