2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol

C19H22FNO3S — CID 24984813

IUPAC2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol
SMILESCc1cc(S(=O)(=O)c2cccc(F)c2)ccc1C1CCN(CCO)C1
InChIInChI=1S/C19H22FNO3S/c1-14-11-18(25(23,24)17-4-2-3-16(20)12-17)5-6-19(14)15-7-8-21(13-15)9-10-22/h2-6,11-12,15,22H,7-10,13H2,1H3
InChIKeyKHZXAVROCXRFJN-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.75
Rot. Bonds5

About 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol

2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol (PubChem CID 24984813) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol
PubChem CID24984813
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol
SMILESCc1cc(S(=O)(=O)c2cccc(F)c2)ccc1C1CCN(CCO)C1
InChIInChI=1S/C19H22FNO3S/c1-14-11-18(25(23,24)17-4-2-3-16(20)12-17)5-6-19(14)15-7-8-21(13-15)9-10-22/h2-6,11-12,15,22H,7-10,13H2,1H3
InChIKeyKHZXAVROCXRFJN-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol (CID 24984813) is 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol is Cc1cc(S(=O)(=O)c2cccc(F)c2)ccc1C1CCN(CCO)C1.
What is the InChIKey of 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol?
The InChIKey is KHZXAVROCXRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-14-11-18(25(23,24)17-4-2-3-16(20)12-17)5-6-19(14)15-7-8-21(13-15)9-10-22/h2-6,11-12,15,22H,7-10,13H2,1H3.
What are the key properties of 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol?
2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol has a molecular weight of 363.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-fluorophenyl)sulfonyl-2-methylphenyl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 24984813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).