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

C15H19ClFNO4S — CID 86703483

IUPAC5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCC2)cc1F
InChIInChI=1S/C15H19ClFNO4S/c1-23(20,21)18-15(19)11-7-12(16)14(8-13(11)17)22-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,18,19)
InChIKeyMTOFVXVDNHJZIU-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.13
Rot. Bonds5

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

5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 86703483) has the molecular formula C15H19ClFNO4S and a molecular weight of 363.84 g/mol. Its IUPAC name is 5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide
PubChem CID86703483
Molecular FormulaC15H19ClFNO4S
Molecular Weight363.84 g/mol
Exact Mass363.07
IUPAC Name5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCC2)cc1F
InChIInChI=1S/C15H19ClFNO4S/c1-23(20,21)18-15(19)11-7-12(16)14(8-13(11)17)22-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,18,19)
InChIKeyMTOFVXVDNHJZIU-UHFFFAOYSA-N
XLogP3.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide (CID 86703483) is 5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCC2)cc1F.
What is the InChIKey of 5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is MTOFVXVDNHJZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO4S/c1-23(20,21)18-15(19)11-7-12(16)14(8-13(11)17)22-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 363.84 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 86703483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).