1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol

C15H14ClF2NOS — CID 60896352

IUPAC1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol
SMILESOC(CNc1ccccc1SC(F)F)c1ccccc1Cl
InChIInChI=1S/C15H14ClF2NOS/c16-11-6-2-1-5-10(11)13(20)9-19-12-7-3-4-8-14(12)21-15(17)18/h1-8,13,15,19-20H,9H2
InChIKeyRBNJBQVVMHRGOY-UHFFFAOYSA-N
MW329.80 g/mol
LogP4.80
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol

1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol (PubChem CID 60896352) has the molecular formula C15H14ClF2NOS and a molecular weight of 329.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol
PubChem CID60896352
Molecular FormulaC15H14ClF2NOS
Molecular Weight329.80 g/mol
Exact Mass329.05
IUPAC Name1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol
SMILESOC(CNc1ccccc1SC(F)F)c1ccccc1Cl
InChIInChI=1S/C15H14ClF2NOS/c16-11-6-2-1-5-10(11)13(20)9-19-12-7-3-4-8-14(12)21-15(17)18/h1-8,13,15,19-20H,9H2
InChIKeyRBNJBQVVMHRGOY-UHFFFAOYSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol
CID 60899021
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
CID 60896928
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 8710371
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 79002808

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol (CID 60896352) is 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol is OC(CNc1ccccc1SC(F)F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol?
The InChIKey is RBNJBQVVMHRGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NOS/c16-11-6-2-1-5-10(11)13(20)9-19-12-7-3-4-8-14(12)21-15(17)18/h1-8,13,15,19-20H,9H2.
What are the key properties of 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol?
1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol has a molecular weight of 329.80 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol is sourced from PubChem (CID 60896352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).