(4-ethylsulfonyl-3-fluorophenyl)methanol

C9H11FO3S — CID 112594378

IUPAC(4-ethylsulfonyl-3-fluorophenyl)methanol
SMILESCCS(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C9H11FO3S/c1-2-14(12,13)9-4-3-7(6-11)5-8(9)10/h3-5,11H,2,6H2,1H3
InChIKeyDCHGBRRSUSVVOO-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.11
Rot. Bonds3

About (4-ethylsulfonyl-3-fluorophenyl)methanol

(4-ethylsulfonyl-3-fluorophenyl)methanol (PubChem CID 112594378) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is (4-ethylsulfonyl-3-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-ethylsulfonyl-3-fluorophenyl)methanol
PubChem CID112594378
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name(4-ethylsulfonyl-3-fluorophenyl)methanol
SMILESCCS(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C9H11FO3S/c1-2-14(12,13)9-4-3-7(6-11)5-8(9)10/h3-5,11H,2,6H2,1H3
InChIKeyDCHGBRRSUSVVOO-UHFFFAOYSA-N
XLogP1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride
CID 91647705
2-fluoro-4-(hydroxymethyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 79187726
2-fluoro-4-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132231
(3-ethylsulfonyl-4-methylphenyl)methanol
CID 112594371
(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412
N-ethyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 79186950
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79186955
2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178765
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 79186883
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
(3,4-difluorophenyl)methanol
CID 522833

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonyl-3-fluorophenyl)methanol?
The IUPAC name of (4-ethylsulfonyl-3-fluorophenyl)methanol (CID 112594378) is (4-ethylsulfonyl-3-fluorophenyl)methanol.
What is the SMILES notation for (4-ethylsulfonyl-3-fluorophenyl)methanol?
The canonical SMILES for (4-ethylsulfonyl-3-fluorophenyl)methanol is CCS(=O)(=O)c1ccc(CO)cc1F.
What is the InChIKey of (4-ethylsulfonyl-3-fluorophenyl)methanol?
The InChIKey is DCHGBRRSUSVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-2-14(12,13)9-4-3-7(6-11)5-8(9)10/h3-5,11H,2,6H2,1H3.
What are the key properties of (4-ethylsulfonyl-3-fluorophenyl)methanol?
(4-ethylsulfonyl-3-fluorophenyl)methanol has a molecular weight of 218.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonyl-3-fluorophenyl)methanol is sourced from PubChem (CID 112594378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).