5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide

C19H23ClFNO4S — CID 123932799

IUPAC5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC23CC4CC(CC2C4)C3)cc1F
InChIInChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-7-15(20)17(8-16(14)21)26-3-2-19-9-11-4-12(10-19)6-13(19)5-11/h7-8,11-13H,2-6,9-10H2,1H3,(H,22,23)
InChIKeyUENMXNHKXVSOGM-UHFFFAOYSA-N
MW415.91 g/mol
LogP3.76
Rot. Bonds6

About 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide

5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide (PubChem CID 123932799) has the molecular formula C19H23ClFNO4S and a molecular weight of 415.91 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide
PubChem CID123932799
Molecular FormulaC19H23ClFNO4S
Molecular Weight415.91 g/mol
Exact Mass415.10
IUPAC Name5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC23CC4CC(CC2C4)C3)cc1F
InChIInChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-7-15(20)17(8-16(14)21)26-3-2-19-9-11-4-12(10-19)6-13(19)5-11/h7-8,11-13H,2-6,9-10H2,1H3,(H,22,23)
InChIKeyUENMXNHKXVSOGM-UHFFFAOYSA-N
XLogP3.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide (CID 123932799) is 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC23CC4CC(CC2C4)C3)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide?
The InChIKey is UENMXNHKXVSOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO4S/c1-27(24,25)22-18(23)14-7-15(20)17(8-16(14)21)26-3-2-19-9-11-4-12(10-19)6-13(19)5-11/h7-8,11-13H,2-6,9-10H2,1H3,(H,22,23).
What are the key properties of 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide?
5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide has a molecular weight of 415.91 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide is sourced from PubChem (CID 123932799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).