1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone

C15H12ClF2NOS — CID 110825305

IUPAC1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone
SMILESO=C(CNc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF2NOS/c16-11-3-1-10(2-4-11)14(20)9-19-12-5-7-13(8-6-12)21-15(17)18/h1-8,15,19H,9H2
InChIKeyWWYGRMQOYKWWHA-UHFFFAOYSA-N
MW327.78 g/mol
LogP4.95
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone

1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone (PubChem CID 110825305) has the molecular formula C15H12ClF2NOS and a molecular weight of 327.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone
PubChem CID110825305
Molecular FormulaC15H12ClF2NOS
Molecular Weight327.78 g/mol
Exact Mass327.03
IUPAC Name1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone
SMILESO=C(CNc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF2NOS/c16-11-3-1-10(2-4-11)14(20)9-19-12-5-7-13(8-6-12)21-15(17)18/h1-8,15,19H,9H2
InChIKeyWWYGRMQOYKWWHA-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117334188
1-(3-bromo-4-methoxyphenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone
CID 110826068
4-chloro-N-[(1R)-2,2,2-trichloro-1-[4-(difluoromethylsulfanyl)anilino]ethyl]benzamide
CID 34306906
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9335414
1-(4-chlorophenyl)-4,4-difluorobutane-1,3-dione
CID 15338013
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium
CID 9335413
(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
CID 7944876
N-[(3-chloro-4-fluorophenyl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 81146194
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9098703
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,2-dimethylpropanamide
CID 60723044
methyl 2-[(4-chlorophenyl)methyl-[4-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 55802568

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone (CID 110825305) is 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone is O=C(CNc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone?
The InChIKey is WWYGRMQOYKWWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NOS/c16-11-3-1-10(2-4-11)14(20)9-19-12-5-7-13(8-6-12)21-15(17)18/h1-8,15,19H,9H2.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone?
1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone has a molecular weight of 327.78 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone is sourced from PubChem (CID 110825305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).