N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide

C14H10ClF2NOS — CID 9055593

IUPACN-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H10ClF2NOS/c15-9-2-1-3-10(6-9)18-14(19)8-20-11-4-5-12(16)13(17)7-11/h1-7H,8H2,(H,18,19)
InChIKeyQLQIDRJFHHNMBB-UHFFFAOYSA-N
MW313.76 g/mol
LogP4.35
Rot. Bonds4

About N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide

N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (PubChem CID 9055593) has the molecular formula C14H10ClF2NOS and a molecular weight of 313.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
PubChem CID9055593
Molecular FormulaC14H10ClF2NOS
Molecular Weight313.76 g/mol
Exact Mass313.01
IUPAC NameN-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H10ClF2NOS/c15-9-2-1-3-10(6-9)18-14(19)8-20-11-4-5-12(16)13(17)7-11/h1-7H,8H2,(H,18,19)
InChIKeyQLQIDRJFHHNMBB-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467403
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
2-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 62646994
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
2-(3,4-difluorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7737032
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 55388279
2-(4-chlorophenyl)-N-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902486
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (CID 9055593) is N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)c(F)c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The InChIKey is QLQIDRJFHHNMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NOS/c15-9-2-1-3-10(6-9)18-14(19)8-20-11-4-5-12(16)13(17)7-11/h1-7H,8H2,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide has a molecular weight of 313.76 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 9055593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).