1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol

C11H13F2NO3S — CID 103871361

IUPAC1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H13F2NO3S/c1-11(15)4-5-14(7-11)18(16,17)8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7H2,1H3
InChIKeyQZGJBUWWNRRNMJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.11
Rot. Bonds2

About 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol

1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103871361) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103871361
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H13F2NO3S/c1-11(15)4-5-14(7-11)18(16,17)8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7H2,1H3
InChIKeyQZGJBUWWNRRNMJ-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103357550
[1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777526
(3R)-1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 124956354
1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 118741464
1-(3,4-difluorophenyl)sulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149274
1-(3-amino-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355073
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871391
1-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871388
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871439
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide
CID 103871349
(5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482135
(3S)-1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 129467066

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol (CID 103871361) is 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is QZGJBUWWNRRNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-11(15)4-5-14(7-11)18(16,17)8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 277.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103871361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).