4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide

C16H16FNO4S2 — CID 155949555

IUPAC4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2ccc(F)c(CSC)c2)c1
InChIInChI=1S/C16H16FNO4S2/c1-22-13-4-3-5-14(9-13)24(20,21)18-16(19)11-6-7-15(17)12(8-11)10-23-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyWSRHUPLXJCOOTD-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.82
Rot. Bonds6

About 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide

4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide (PubChem CID 155949555) has the molecular formula C16H16FNO4S2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide
PubChem CID155949555
Molecular FormulaC16H16FNO4S2
Molecular Weight369.44 g/mol
Exact Mass369.05
IUPAC Name4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2ccc(F)c(CSC)c2)c1
InChIInChI=1S/C16H16FNO4S2/c1-22-13-4-3-5-14(9-13)24(20,21)18-16(19)11-6-7-15(17)12(8-11)10-23-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyWSRHUPLXJCOOTD-UHFFFAOYSA-N
XLogP2.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide (CID 155949555) is 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide is COc1cccc(S(=O)(=O)NC(=O)c2ccc(F)c(CSC)c2)c1.
What is the InChIKey of 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide?
The InChIKey is WSRHUPLXJCOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S2/c1-22-13-4-3-5-14(9-13)24(20,21)18-16(19)11-6-7-15(17)12(8-11)10-23-2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide?
4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide has a molecular weight of 369.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 155949555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).