5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C16H15ClFNO3S — CID 47013007

IUPAC5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H15ClFNO3S/c1-10(11-3-6-13(7-4-11)23(2,21)22)19-16(20)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3,(H,19,20)
InChIKeyNSWOINWKQLMDTG-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.37
Rot. Bonds4

About 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 47013007) has the molecular formula C16H15ClFNO3S and a molecular weight of 355.82 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID47013007
Molecular FormulaC16H15ClFNO3S
Molecular Weight355.82 g/mol
Exact Mass355.04
IUPAC Name5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H15ClFNO3S/c1-10(11-3-6-13(7-4-11)23(2,21)22)19-16(20)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3,(H,19,20)
InChIKeyNSWOINWKQLMDTG-UHFFFAOYSA-N
XLogP3.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 47013007) is 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(NC(=O)c1cc(Cl)ccc1F)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is NSWOINWKQLMDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3S/c1-10(11-3-6-13(7-4-11)23(2,21)22)19-16(20)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 355.82 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 47013007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).