2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide

C15H12ClF2NOS — CID 24556344

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H12ClF2NOS/c1-9(21-14-4-2-10(16)3-5-14)15(20)19-13-7-11(17)6-12(18)8-13/h2-9H,1H3,(H,19,20)
InChIKeyBOPIXROMYPAPHA-UHFFFAOYSA-N
MW327.78 g/mol
LogP4.74
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide (PubChem CID 24556344) has the molecular formula C15H12ClF2NOS and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
PubChem CID24556344
Molecular FormulaC15H12ClF2NOS
Molecular Weight327.78 g/mol
Exact Mass327.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H12ClF2NOS/c1-9(21-14-4-2-10(16)3-5-14)15(20)19-13-7-11(17)6-12(18)8-13/h2-9H,1H3,(H,19,20)
InChIKeyBOPIXROMYPAPHA-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
methyl 4-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 970587
2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60638329

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide (CID 24556344) is 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide?
The InChIKey is BOPIXROMYPAPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NOS/c1-9(21-14-4-2-10(16)3-5-14)15(20)19-13-7-11(17)6-12(18)8-13/h2-9H,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide has a molecular weight of 327.78 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide is sourced from PubChem (CID 24556344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).