2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide

C14H9Cl2F2NOS — CID 2536490

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1c(F)cccc1F
InChIInChI=1S/C14H9Cl2F2NOS/c15-8-4-5-9(16)12(6-8)21-7-13(20)19-14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,19,20)
InChIKeySHBUBZJDKKLTNY-UHFFFAOYSA-N
MW348.20 g/mol
LogP5.00
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide (PubChem CID 2536490) has the molecular formula C14H9Cl2F2NOS and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
PubChem CID2536490
Molecular FormulaC14H9Cl2F2NOS
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1c(F)cccc1F
InChIInChI=1S/C14H9Cl2F2NOS/c15-8-4-5-9(16)12(6-8)21-7-13(20)19-14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,19,20)
InChIKeySHBUBZJDKKLTNY-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.20
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 43305241
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 43414111
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455
2-(5-chloro-2-fluoroanilino)-N-(2,6-difluorophenyl)acetamide
CID 43408880
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43303659
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 82838734
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide (CID 2536490) is 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide is O=C(CSc1cc(Cl)ccc1Cl)Nc1c(F)cccc1F.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
The InChIKey is SHBUBZJDKKLTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2NOS/c15-8-4-5-9(16)12(6-8)21-7-13(20)19-14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,19,20).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide has a molecular weight of 348.20 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 2536490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).