1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol

C17H18FNO3S — CID 167803282

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)(c3ccccc3)C2)ccc1F
InChIInChI=1S/C17H18FNO3S/c1-13-11-15(7-8-16(13)18)23(21,22)19-10-9-17(20,12-19)14-5-3-2-4-6-14/h2-8,11,20H,9-10,12H2,1H3
InChIKeyOHIVVLOUODVXJN-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol

1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol (PubChem CID 167803282) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol
PubChem CID167803282
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)(c3ccccc3)C2)ccc1F
InChIInChI=1S/C17H18FNO3S/c1-13-11-15(7-8-16(13)18)23(21,22)19-10-9-17(20,12-19)14-5-3-2-4-6-14/h2-8,11,20H,9-10,12H2,1H3
InChIKeyOHIVVLOUODVXJN-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 129467066
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine
CID 136574383
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
1-methylsulfonyl-4-phenylpiperidin-4-ol
CID 90920425
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103357550
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-3-methylquinoline
CID 110420550
1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 118741464

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol (CID 167803282) is 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol is Cc1cc(S(=O)(=O)N2CCC(O)(c3ccccc3)C2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol?
The InChIKey is OHIVVLOUODVXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-13-11-15(7-8-16(13)18)23(21,22)19-10-9-17(20,12-19)14-5-3-2-4-6-14/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol?
1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol has a molecular weight of 335.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 167803282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).