1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea

C19H22N2O4S — CID 163582481

IUPAC1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4S/c22-19(20-15-7-3-1-4-8-15)21-26(23,24)18-13-11-17(12-14-18)25-16-9-5-2-6-10-16/h2,5-6,9-15H,1,3-4,7-8H2,(H2,20,21,22)
InChIKeyGISBNIKFIJXLSD-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.80
Rot. Bonds5

About 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea

1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea (PubChem CID 163582481) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
PubChem CID163582481
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4S/c22-19(20-15-7-3-1-4-8-15)21-26(23,24)18-13-11-17(12-14-18)25-16-9-5-2-6-10-16/h2,5-6,9-15H,1,3-4,7-8H2,(H2,20,21,22)
InChIKeyGISBNIKFIJXLSD-UHFFFAOYSA-N
XLogP3.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
CID 163441997
N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide
CID 163861602
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
1-cyclohexyl-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]sulfonylurea
CID 134111037
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
3-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-methyl-1-pyridin-2-ylurea
CID 21433328
1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 154259938
[4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate
CID 19886756

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea (CID 163582481) is 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea is O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea?
The InChIKey is GISBNIKFIJXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(20-15-7-3-1-4-8-15)21-26(23,24)18-13-11-17(12-14-18)25-16-9-5-2-6-10-16/h2,5-6,9-15H,1,3-4,7-8H2,(H2,20,21,22).
What are the key properties of 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea?
1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea has a molecular weight of 374.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea is sourced from PubChem (CID 163582481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).