2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol

C14H14F2N2O3S — CID 75457516

IUPAC2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol
SMILESO=S(=O)(c1ccc(NCC(O)c2ccccn2)cc1)C(F)F
InChIInChI=1S/C14H14F2N2O3S/c15-14(16)22(20,21)11-6-4-10(5-7-11)18-9-13(19)12-3-1-2-8-17-12/h1-8,13-14,18-19H,9H2
InChIKeyACAXSKOEPBWGBB-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.22
Rot. Bonds6

About 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol

2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol (PubChem CID 75457516) has the molecular formula C14H14F2N2O3S and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol
PubChem CID75457516
Molecular FormulaC14H14F2N2O3S
Molecular Weight328.34 g/mol
Exact Mass328.07
IUPAC Name2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol
SMILESO=S(=O)(c1ccc(NCC(O)c2ccccn2)cc1)C(F)F
InChIInChI=1S/C14H14F2N2O3S/c15-14(16)22(20,21)11-6-4-10(5-7-11)18-9-13(19)12-3-1-2-8-17-12/h1-8,13-14,18-19H,9H2
InChIKeyACAXSKOEPBWGBB-UHFFFAOYSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol
CID 51086768
2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol
CID 82044991
4-(difluoromethylsulfonyl)-N-(2-methylbutyl)aniline
CID 43683861
3-[[4-(difluoromethylsulfonyl)anilino]methyl]-5-methylhexan-1-ol
CID 111515648
1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol
CID 167747087
4-(difluoromethylsulfonyl)-N-(pyridazin-3-ylmethyl)aniline
CID 106832775
4-(difluoromethylsulfonyl)-N-(2,2,2-trifluoroethyl)aniline
CID 43383566
4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
CID 104576936
2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-pyridin-2-ylethanol
CID 71125420
N-[(2-bromophenyl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 43683883
N-(2-cyclopropylpropyl)-4-(difluoromethylsulfonyl)aniline
CID 115591435
(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium
CID 167327930

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol (CID 75457516) is 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol is O=S(=O)(c1ccc(NCC(O)c2ccccn2)cc1)C(F)F.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol?
The InChIKey is ACAXSKOEPBWGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3S/c15-14(16)22(20,21)11-6-4-10(5-7-11)18-9-13(19)12-3-1-2-8-17-12/h1-8,13-14,18-19H,9H2.
What are the key properties of 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol?
2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol has a molecular weight of 328.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol is sourced from PubChem (CID 75457516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).