2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide

C21H24F4N2O3S — CID 130224286

IUPAC2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)C2)cc1
InChIInChI=1S/C21H24F4N2O3S/c1-14(2)30-18-6-3-15(4-7-18)12-27-10-9-17(13-27)26-31(28,29)20-11-16(21(23,24)25)5-8-19(20)22/h3-8,11,14,17,26H,9-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyQEIFCYOPOJVHDJ-QGZVFWFLSA-N
MW460.49 g/mol
LogP4.18
Rot. Bonds7

About 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide

2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 130224286) has the molecular formula C21H24F4N2O3S and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID130224286
Molecular FormulaC21H24F4N2O3S
Molecular Weight460.49 g/mol
Exact Mass460.14
IUPAC Name2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)C2)cc1
InChIInChI=1S/C21H24F4N2O3S/c1-14(2)30-18-6-3-15(4-7-18)12-27-10-9-17(13-27)26-31(28,29)20-11-16(21(23,24)25)5-8-19(20)22/h3-8,11,14,17,26H,9-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyQEIFCYOPOJVHDJ-QGZVFWFLSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide (CID 130224286) is 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide is CC(C)Oc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)C2)cc1.
What is the InChIKey of 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QEIFCYOPOJVHDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24F4N2O3S/c1-14(2)30-18-6-3-15(4-7-18)12-27-10-9-17(13-27)26-31(28,29)20-11-16(21(23,24)25)5-8-19(20)22/h3-8,11,14,17,26H,9-10,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide?
2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 460.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 130224286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).