1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol

C15H22FNO3S — CID 107328244

IUPAC1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCCC1CC(C)O
InChIInChI=1S/C15H22FNO3S/c1-10-7-13(16)8-11(2)15(10)21(19,20)17-6-4-5-14(17)9-12(3)18/h7-8,12,14,18H,4-6,9H2,1-3H3
InChIKeyINNYQBAKGODRID-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.37
Rot. Bonds4

About 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol

1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol (PubChem CID 107328244) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
PubChem CID107328244
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCCC1CC(C)O
InChIInChI=1S/C15H22FNO3S/c1-10-7-13(16)8-11(2)15(10)21(19,20)17-6-4-5-14(17)9-12(3)18/h7-8,12,14,18H,4-6,9H2,1-3H3
InChIKeyINNYQBAKGODRID-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
3-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 107327086
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 107328297
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylazepane
CID 107327191
1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 79546057
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
1-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79539023
1-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]propan-2-ol
CID 79546818
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545900
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
2-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61372459

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol (CID 107328244) is 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol is Cc1cc(F)cc(C)c1S(=O)(=O)N1CCCC1CC(C)O.
What is the InChIKey of 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is INNYQBAKGODRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-10-7-13(16)8-11(2)15(10)21(19,20)17-6-4-5-14(17)9-12(3)18/h7-8,12,14,18H,4-6,9H2,1-3H3.
What are the key properties of 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol?
1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 315.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 107328244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).