4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide

C16H14ClF2NOS — CID 134059340

IUPAC4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
SMILESO=C(CCCSc1ccc(Cl)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H14ClF2NOS/c17-11-3-6-13(7-4-11)22-9-1-2-16(21)20-15-10-12(18)5-8-14(15)19/h3-8,10H,1-2,9H2,(H,20,21)
InChIKeyNLANABRAQNLSFD-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.13
Rot. Bonds6

About 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide

4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide (PubChem CID 134059340) has the molecular formula C16H14ClF2NOS and a molecular weight of 341.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
PubChem CID134059340
Molecular FormulaC16H14ClF2NOS
Molecular Weight341.81 g/mol
Exact Mass341.05
IUPAC Name4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
SMILESO=C(CCCSc1ccc(Cl)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H14ClF2NOS/c17-11-3-6-13(7-4-11)22-9-1-2-16(21)20-15-10-12(18)5-8-14(15)19/h3-8,10H,1-2,9H2,(H,20,21)
InChIKeyNLANABRAQNLSFD-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
5-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 7979690
3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9045097
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
1-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
CID 60609405
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide (CID 134059340) is 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide is O=C(CCCSc1ccc(Cl)cc1)Nc1cc(F)ccc1F.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide?
The InChIKey is NLANABRAQNLSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NOS/c17-11-3-6-13(7-4-11)22-9-1-2-16(21)20-15-10-12(18)5-8-14(15)19/h3-8,10H,1-2,9H2,(H,20,21).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide?
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide has a molecular weight of 341.81 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide is sourced from PubChem (CID 134059340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).