N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide

C15H13F2NO3S2 — CID 10066899

IUPACN-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
SMILESCC(=O)c1ccc(Sc2ccc(F)cc2F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H13F2NO3S2/c1-9(19)10-3-5-15(13(7-10)18-23(2,20)21)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3
InChIKeyGFQBWBFYGJTLDW-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.69
Rot. Bonds5

About N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide

N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide (PubChem CID 10066899) has the molecular formula C15H13F2NO3S2 and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
PubChem CID10066899
Molecular FormulaC15H13F2NO3S2
Molecular Weight357.40 g/mol
Exact Mass357.03
IUPAC NameN-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
SMILESCC(=O)c1ccc(Sc2ccc(F)cc2F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H13F2NO3S2/c1-9(19)10-3-5-15(13(7-10)18-23(2,20)21)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3
InChIKeyGFQBWBFYGJTLDW-UHFFFAOYSA-N
XLogP3.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide?
The IUPAC name of N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide (CID 10066899) is N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide is CC(=O)c1ccc(Sc2ccc(F)cc2F)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide?
The InChIKey is GFQBWBFYGJTLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3S2/c1-9(19)10-3-5-15(13(7-10)18-23(2,20)21)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3.
What are the key properties of N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide?
N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide is sourced from PubChem (CID 10066899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).