3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

C20H24FNO3S — CID 10292985

IUPAC3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(S(=O)(=O)N2C(CCCO)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3S/c1-15-4-11-19(12-5-15)26(24,25)22-18(3-2-14-23)10-13-20(22)16-6-8-17(21)9-7-16/h4-9,11-12,18,20,23H,2-3,10,13-14H2,1H3
InChIKeyOYWCGMXECLMJCI-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.80
Rot. Bonds6

About 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (PubChem CID 10292985) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
PubChem CID10292985
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC Name3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(S(=O)(=O)N2C(CCCO)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3S/c1-15-4-11-19(12-5-15)26(24,25)22-18(3-2-14-23)10-13-20(22)16-6-8-17(21)9-7-16/h4-9,11-12,18,20,23H,2-3,10,13-14H2,1H3
InChIKeyOYWCGMXECLMJCI-UHFFFAOYSA-N
XLogP3.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (CID 10292985) is 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is Cc1ccc(S(=O)(=O)N2C(CCCO)CCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is OYWCGMXECLMJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-15-4-11-19(12-5-15)26(24,25)22-18(3-2-14-23)10-13-20(22)16-6-8-17(21)9-7-16/h4-9,11-12,18,20,23H,2-3,10,13-14H2,1H3.
What are the key properties of 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 377.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 10292985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).