1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol

C12H15ClFNO3S — CID 103990791

IUPAC1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H15ClFNO3S/c1-8(16)9-4-5-15(7-9)19(17,18)12-6-10(14)2-3-11(12)13/h2-3,6,8-9,16H,4-5,7H2,1H3
InChIKeyWYVSMCFZMZZQST-UHFFFAOYSA-N
MW307.77 g/mol
LogP1.87
Rot. Bonds3

About 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol

1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 103990791) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID103990791
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H15ClFNO3S/c1-8(16)9-4-5-15(7-9)19(17,18)12-6-10(14)2-3-11(12)13/h2-3,6,8-9,16H,4-5,7H2,1H3
InChIKeyWYVSMCFZMZZQST-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120582967
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972159
3-fluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 115965106
1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 84590364
1-(2-chloro-5-fluorophenyl)sulfonyl-3-ethylpiperidin-4-one
CID 105400243
1-[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835212
(3R)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 104937173
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propan-2-ylpyrrolidine
CID 113254437

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 103990791) is 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1.
What is the InChIKey of 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is WYVSMCFZMZZQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-8(16)9-4-5-15(7-9)19(17,18)12-6-10(14)2-3-11(12)13/h2-3,6,8-9,16H,4-5,7H2,1H3.
What are the key properties of 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol?
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 307.77 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103990791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).