2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

C20H15F3N2O3S2 — CID 55912832

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H15F3N2O3S2/c21-13-5-8-15(9-6-13)30(27,28)25-19-4-2-1-3-18(19)24-20(26)12-29-14-7-10-16(22)17(23)11-14/h1-11,25H,12H2,(H,24,26)
InChIKeyLOMVXASYBGUFSE-UHFFFAOYSA-N
MW452.48 g/mol
LogP4.64
Rot. Bonds7

About 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 55912832) has the molecular formula C20H15F3N2O3S2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID55912832
Molecular FormulaC20H15F3N2O3S2
Molecular Weight452.48 g/mol
Exact Mass452.05
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H15F3N2O3S2/c21-13-5-8-15(9-6-13)30(27,28)25-19-4-2-1-3-18(19)24-20(26)12-29-14-7-10-16(22)17(23)11-14/h1-11,25H,12H2,(H,24,26)
InChIKeyLOMVXASYBGUFSE-UHFFFAOYSA-N
XLogP4.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 119676625
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22779275
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 42000152
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068049
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219341
N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 55905900
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (CID 55912832) is 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is O=C(CSc1ccc(F)c(F)c1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is LOMVXASYBGUFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3S2/c21-13-5-8-15(9-6-13)30(27,28)25-19-4-2-1-3-18(19)24-20(26)12-29-14-7-10-16(22)17(23)11-14/h1-11,25H,12H2,(H,24,26).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 452.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 55912832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).