1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol

C12H16F2N2O3S — CID 142309464

IUPAC1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol
SMILESCCC1(O)CCN(S(=O)(=O)c2ccc(C(F)F)nc2)C1
InChIInChI=1S/C12H16F2N2O3S/c1-2-12(17)5-6-16(8-12)20(18,19)9-3-4-10(11(13)14)15-7-9/h3-4,7,11,17H,2,5-6,8H2,1H3
InChIKeyJGDBOSGWCCXGRW-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.55
Rot. Bonds4

About 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol

1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol (PubChem CID 142309464) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol
PubChem CID142309464
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol
SMILESCCC1(O)CCN(S(=O)(=O)c2ccc(C(F)F)nc2)C1
InChIInChI=1S/C12H16F2N2O3S/c1-2-12(17)5-6-16(8-12)20(18,19)9-3-4-10(11(13)14)15-7-9/h3-4,7,11,17H,2,5-6,8H2,1H3
InChIKeyJGDBOSGWCCXGRW-UHFFFAOYSA-N
XLogP1.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103355759
1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 118741464
(3R)-1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 124956354
(3R)-1-(4-chlorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 125020513
1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol
CID 106606344
(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129327151
4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol
CID 81102850
2-chloro-5-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbenzoic acid
CID 107215656
1-(2-hydrazinylpyrimidin-5-yl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103356611
3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol
CID 131943679
(3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 124976702
(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129325461

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol?
The IUPAC name of 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol (CID 142309464) is 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol.
What is the SMILES notation for 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol?
The canonical SMILES for 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol is CCC1(O)CCN(S(=O)(=O)c2ccc(C(F)F)nc2)C1.
What is the InChIKey of 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol?
The InChIKey is JGDBOSGWCCXGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-2-12(17)5-6-16(8-12)20(18,19)9-3-4-10(11(13)14)15-7-9/h3-4,7,11,17H,2,5-6,8H2,1H3.
What are the key properties of 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol?
1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol has a molecular weight of 306.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol is sourced from PubChem (CID 142309464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).