(3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C17H21F3N2O3S — CID 24982986

IUPAC(3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O3S/c18-17(19,20)14-6-4-8-21(12-14)16(23)13-5-3-7-15(11-13)26(24,25)22-9-1-2-10-22/h3,5,7,11,14H,1-2,4,6,8-10,12H2
InChIKeyRLFRHKBWSZCKDR-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.89
Rot. Bonds3

About (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 24982986) has the molecular formula C17H21F3N2O3S and a molecular weight of 390.43 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID24982986
Molecular FormulaC17H21F3N2O3S
Molecular Weight390.43 g/mol
Exact Mass390.12
IUPAC Name(3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O3S/c18-17(19,20)14-6-4-8-21(12-14)16(23)13-5-3-7-15(11-13)26(24,25)22-9-1-2-10-22/h3,5,7,11,14H,1-2,4,6,8-10,12H2
InChIKeyRLFRHKBWSZCKDR-UHFFFAOYSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 24982986) is (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is RLFRHKBWSZCKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3S/c18-17(19,20)14-6-4-8-21(12-14)16(23)13-5-3-7-15(11-13)26(24,25)22-9-1-2-10-22/h3,5,7,11,14H,1-2,4,6,8-10,12H2.
What are the key properties of (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 390.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 24982986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).