2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide

C16H14ClF2NOS — CID 18275938

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
SMILESCCC(Sc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClF2NOS/c1-2-15(22-12-7-8-14(19)13(17)9-12)16(21)20-11-5-3-10(18)4-6-11/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyHSWNOKCWBVCGIN-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.13
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide

2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide (PubChem CID 18275938) has the molecular formula C16H14ClF2NOS and a molecular weight of 341.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
PubChem CID18275938
Molecular FormulaC16H14ClF2NOS
Molecular Weight341.81 g/mol
Exact Mass341.05
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
SMILESCCC(Sc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClF2NOS/c1-2-15(22-12-7-8-14(19)13(17)9-12)16(21)20-11-5-3-10(18)4-6-11/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyHSWNOKCWBVCGIN-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.81
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 18122585
N-(3-chloro-4-fluorophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide
CID 19316692
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
2,4-dichloro-N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18902235
N-(3-chloro-4-fluorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905979
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 18907131
N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904539
2,3,4,5-tetrachloro-6-[[3-[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18896019
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 28631688
N-[3-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 18904253
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide (CID 18275938) is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide is CCC(Sc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide?
The InChIKey is HSWNOKCWBVCGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NOS/c1-2-15(22-12-7-8-14(19)13(17)9-12)16(21)20-11-5-3-10(18)4-6-11/h3-9,15H,2H2,1H3,(H,20,21).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide?
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide has a molecular weight of 341.81 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 18275938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).