5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide

C16H21ClFNO4S — CID 91809338

IUPAC5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCCC2)cc1F
InChIInChI=1S/C16H21ClFNO4S/c1-24(21,22)19-16(20)12-9-13(17)15(10-14(12)18)23-8-7-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)
InChIKeyPNQHUEIYIAWMIZ-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.52
Rot. Bonds6

About 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide

5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 91809338) has the molecular formula C16H21ClFNO4S and a molecular weight of 377.87 g/mol. Its IUPAC name is 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide
PubChem CID91809338
Molecular FormulaC16H21ClFNO4S
Molecular Weight377.87 g/mol
Exact Mass377.09
IUPAC Name5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCCC2)cc1F
InChIInChI=1S/C16H21ClFNO4S/c1-24(21,22)19-16(20)12-9-13(17)15(10-14(12)18)23-8-7-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)
InChIKeyPNQHUEIYIAWMIZ-UHFFFAOYSA-N
XLogP3.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide (CID 91809338) is 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCCC2)cc1F.
What is the InChIKey of 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is PNQHUEIYIAWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO4S/c1-24(21,22)19-16(20)12-9-13(17)15(10-14(12)18)23-8-7-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20).
What are the key properties of 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 377.87 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 91809338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).