2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol

C15H14F3NO3S — CID 51086768

IUPAC2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol
SMILESO=S(=O)(c1ccc(NCC(O)c2ccc(F)cc2)cc1)C(F)F
InChIInChI=1S/C15H14F3NO3S/c16-11-3-1-10(2-4-11)14(20)9-19-12-5-7-13(8-6-12)23(21,22)15(17)18/h1-8,14-15,19-20H,9H2
InChIKeyRRUGHSZBTGOGCL-UHFFFAOYSA-N
MW345.34 g/mol
LogP2.97
Rot. Bonds6

About 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol

2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol (PubChem CID 51086768) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol
PubChem CID51086768
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol
SMILESO=S(=O)(c1ccc(NCC(O)c2ccc(F)cc2)cc1)C(F)F
InChIInChI=1S/C15H14F3NO3S/c16-11-3-1-10(2-4-11)14(20)9-19-12-5-7-13(8-6-12)23(21,22)15(17)18/h1-8,14-15,19-20H,9H2
InChIKeyRRUGHSZBTGOGCL-UHFFFAOYSA-N
XLogP2.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol 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

2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol
CID 75457516
4-(difluoromethylsulfonyl)-N-(2-methylbutyl)aniline
CID 43683861
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
4-(difluoromethylsulfonyl)-N-(2,2,2-trifluoroethyl)aniline
CID 43383566
1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol
CID 66349964
N-(2-cyclopropylpropyl)-4-(difluoromethylsulfonyl)aniline
CID 115591435
3-[[4-(difluoromethylsulfonyl)anilino]methyl]-5-methylhexan-1-ol
CID 111515648
4-(difluoromethylsulfonyl)-N-(3,3-dimethylbutyl)aniline
CID 60966150
4-(difluoromethylsulfonyl)-N-prop-2-ynylaniline
CID 62140889
N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide
CID 95763447
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol (CID 51086768) is 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol is O=S(=O)(c1ccc(NCC(O)c2ccc(F)cc2)cc1)C(F)F.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol?
The InChIKey is RRUGHSZBTGOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c16-11-3-1-10(2-4-11)14(20)9-19-12-5-7-13(8-6-12)23(21,22)15(17)18/h1-8,14-15,19-20H,9H2.
What are the key properties of 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol?
2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol has a molecular weight of 345.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 51086768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).