(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol

C11H14FNO3S — CID 66291700

IUPAC(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C11H14FNO3S/c1-8-2-3-10(6-11(8)12)17(15,16)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyOBWZWQGXHVBVOS-SECBINFHSA-N
MW259.30 g/mol
LogP0.89
Rot. Bonds2

About (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 66291700) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID66291700
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C11H14FNO3S/c1-8-2-3-10(6-11(8)12)17(15,16)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyOBWZWQGXHVBVOS-SECBINFHSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
(3S,4S)-4-[(dimethylamino)methyl]-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-3-ol
CID 131915170
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
CID 63288683
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol (CID 66291700) is (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1F.
What is the InChIKey of (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is OBWZWQGXHVBVOS-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-8-2-3-10(6-11(8)12)17(15,16)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 259.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).