2-[4-(difluoromethylsulfonyl)anilino]ethanol

C9H11F2NO3S — CID 43455321

IUPAC2-[4-(difluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccc(NCCO)cc1)C(F)F
InChIInChI=1S/C9H11F2NO3S/c10-9(11)16(14,15)8-3-1-7(2-4-8)12-5-6-13/h1-4,9,12-13H,5-6H2
InChIKeyATYAYILAKFZSAO-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.09
Rot. Bonds5

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

2-[4-(difluoromethylsulfonyl)anilino]ethanol (PubChem CID 43455321) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)anilino]ethanol
PubChem CID43455321
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name2-[4-(difluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccc(NCCO)cc1)C(F)F
InChIInChI=1S/C9H11F2NO3S/c10-9(11)16(14,15)8-3-1-7(2-4-8)12-5-6-13/h1-4,9,12-13H,5-6H2
InChIKeyATYAYILAKFZSAO-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-p-Sulfanilylanilinoethanol
CID 6622
(3S,4R)-3-hydroxy-4-(phenylamino)thiolane-1,1-dione
CID 2772257
4-Anilinotetrahydro-3-thiophenol 1,1-dioxide
CID 2818401
4-methanesulfonyl-N-(propan-2-yl)aniline
CID 28453403
N-ethyl-2-fluoro-4-methanesulfonylaniline
CID 91476749
N-(4-difluoromethanesulfonylphenyl)acetamide
CID 2412593
Ethanol, 2-((4-(phenylthio)phenyl)amino)-
CID 3039689
2-Propanol, 1-(p-sulfanilylanilino)-
CID 3063463
N-methyl-4-trifluoromethanesulfonylaniline
CID 43427590
4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 47046016
1-[4-(Difluoromethylsulfonyl)anilino]-2-methylbutan-2-ol
CID 63963191
3-[4-(4-Aminophenyl)sulfonylanilino]propan-1-ol
CID 156016744

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)anilino]ethanol?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)anilino]ethanol (CID 43455321) is 2-[4-(difluoromethylsulfonyl)anilino]ethanol.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)anilino]ethanol?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)anilino]ethanol is O=S(=O)(c1ccc(NCCO)cc1)C(F)F.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)anilino]ethanol?
The InChIKey is ATYAYILAKFZSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c10-9(11)16(14,15)8-3-1-7(2-4-8)12-5-6-13/h1-4,9,12-13H,5-6H2.
What are the key properties of 2-[4-(difluoromethylsulfonyl)anilino]ethanol?
2-[4-(difluoromethylsulfonyl)anilino]ethanol has a molecular weight of 251.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)anilino]ethanol is sourced from PubChem (CID 43455321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).