1-cyclohexyl-3-naphthalen-2-ylsulfonylurea

C17H20N2O3S — CID 163441997

IUPAC1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O3S/c20-17(18-15-8-2-1-3-9-15)19-23(21,22)16-11-10-13-6-4-5-7-14(13)12-16/h4-7,10-12,15H,1-3,8-9H2,(H2,18,19,20)
InChIKeyAZILYAJHYBTQJL-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.16
Rot. Bonds3

About 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea

1-cyclohexyl-3-naphthalen-2-ylsulfonylurea (PubChem CID 163441997) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
PubChem CID163441997
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O3S/c20-17(18-15-8-2-1-3-9-15)19-23(21,22)16-11-10-13-6-4-5-7-14(13)12-16/h4-7,10-12,15H,1-3,8-9H2,(H2,18,19,20)
InChIKeyAZILYAJHYBTQJL-UHFFFAOYSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 154259938
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906445
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
1-[[4-(aminomethyl)phenyl]methyl]-3-cycloheptyl-1-(naphthalen-2-ylsulfonylamino)urea;hydrochloride
CID 11318305
N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-phenoxymethyl]acetamide
CID 163861602
1-cyclohexyl-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]sulfonylurea
CID 134111037

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea?
The IUPAC name of 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea (CID 163441997) is 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea is O=C(NC1CCCCC1)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea?
The InChIKey is AZILYAJHYBTQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(18-15-8-2-1-3-9-15)19-23(21,22)16-11-10-13-6-4-5-7-14(13)12-16/h4-7,10-12,15H,1-3,8-9H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea?
1-cyclohexyl-3-naphthalen-2-ylsulfonylurea has a molecular weight of 332.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-naphthalen-2-ylsulfonylurea is sourced from PubChem (CID 163441997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).