[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone

C23H27FN2O3S — CID 143847575

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCc1ccccc1S(=O)(=O)N1CCCC(C(=O)N2CCCC2c2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O3S/c1-17-6-2-3-9-22(17)30(28,29)25-14-4-7-19(16-25)23(27)26-15-5-8-21(26)18-10-12-20(24)13-11-18/h2-3,6,9-13,19,21H,4-5,7-8,14-16H2,1H3
InChIKeyVHEICZSVJCPRCZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.90
Rot. Bonds4

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone (PubChem CID 143847575) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone
PubChem CID143847575
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCc1ccccc1S(=O)(=O)N1CCCC(C(=O)N2CCCC2c2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O3S/c1-17-6-2-3-9-22(17)30(28,29)25-14-4-7-19(16-25)23(27)26-15-5-8-21(26)18-10-12-20(24)13-11-18/h2-3,6,9-13,19,21H,4-5,7-8,14-16H2,1H3
InChIKeyVHEICZSVJCPRCZ-UHFFFAOYSA-N
XLogP3.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone (CID 143847575) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone is Cc1ccccc1S(=O)(=O)N1CCCC(C(=O)N2CCCC2c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is VHEICZSVJCPRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-17-6-2-3-9-22(17)30(28,29)25-14-4-7-19(16-25)23(27)26-15-5-8-21(26)18-10-12-20(24)13-11-18/h2-3,6,9-13,19,21H,4-5,7-8,14-16H2,1H3.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 430.55 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 143847575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).