2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol

C14H11ClF2O3S — CID 19804798

IUPAC2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1Cl
InChIInChI=1S/C14H11ClF2O3S/c15-12-9-5-4-8-11(12)13(18)14(16,17)21(19,20)10-6-2-1-3-7-10/h1-9,13,18H
InChIKeySWIJBBBMCNAMKK-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.44
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol

2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol (PubChem CID 19804798) has the molecular formula C14H11ClF2O3S and a molecular weight of 332.76 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol
PubChem CID19804798
Molecular FormulaC14H11ClF2O3S
Molecular Weight332.76 g/mol
Exact Mass332.01
IUPAC Name2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1Cl
InChIInChI=1S/C14H11ClF2O3S/c15-12-9-5-4-8-11(12)13(18)14(16,17)21(19,20)10-6-2-1-3-7-10/h1-9,13,18H
InChIKeySWIJBBBMCNAMKK-UHFFFAOYSA-N
XLogP3.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol
CID 19804790
2,2-dibromo-1-(2-chlorophenyl)-2-fluoroethanol
CID 165441420
2-(benzenesulfonyl)-2-chloro-2-fluoro-1-phenylethanol
CID 10639033
2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol
CID 19804777
ethane;trifluoromethylsulfonylbenzene
CID 144556552
1-(benzenesulfonyl)-1,1-difluoro-3,3,5,5-tetramethylhexan-2-ol
CID 19804768
2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol
CID 19804783
(3R)-1-(benzenesulfonyl)-1,1-difluoro-3-methylheptan-2-ol
CID 122598739
(3S)-3-amino-3-(2-chlorophenyl)-2,2-difluoropropanoic acid
CID 53487758
(benzenesulfonyl-fluoro-iodomethyl)sulfonylbenzene
CID 132518084
1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol (CID 19804798) is 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol is O=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1Cl.
What is the InChIKey of 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol?
The InChIKey is SWIJBBBMCNAMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O3S/c15-12-9-5-4-8-11(12)13(18)14(16,17)21(19,20)10-6-2-1-3-7-10/h1-9,13,18H.
What are the key properties of 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol?
2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol has a molecular weight of 332.76 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol is sourced from PubChem (CID 19804798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).