3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide

C19H20F4N4O3S — CID 121142673

IUPAC3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C19H20F4N4O3S/c20-15-3-1-2-4-16(15)31(29,30)25-9-7-18(28)26-14-8-10-27(12-14)17-6-5-13(11-24-17)19(21,22)23/h1-6,11,14,25H,7-10,12H2,(H,26,28)
InChIKeyQXXQLNIEENQRNQ-UHFFFAOYSA-N
MW460.45 g/mol
LogP2.30
Rot. Bonds7

About 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide

3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide (PubChem CID 121142673) has the molecular formula C19H20F4N4O3S and a molecular weight of 460.45 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
PubChem CID121142673
Molecular FormulaC19H20F4N4O3S
Molecular Weight460.45 g/mol
Exact Mass460.12
IUPAC Name3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C19H20F4N4O3S/c20-15-3-1-2-4-16(15)31(29,30)25-9-7-18(28)26-14-8-10-27(12-14)17-6-5-13(11-24-17)19(21,22)23/h1-6,11,14,25H,7-10,12H2,(H,26,28)
InChIKeyQXXQLNIEENQRNQ-UHFFFAOYSA-N
XLogP2.30
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 55708355
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
4-(1,3-dioxoisoindol-2-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]butanamide
CID 121142788
2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142917
3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142698
2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142678
3-(3,4-dimethylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142717
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide (CID 121142673) is 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1F)NC1CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
The InChIKey is QXXQLNIEENQRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O3S/c20-15-3-1-2-4-16(15)31(29,30)25-9-7-18(28)26-14-8-10-27(12-14)17-6-5-13(11-24-17)19(21,22)23/h1-6,11,14,25H,7-10,12H2,(H,26,28).
What are the key properties of 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide has a molecular weight of 460.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 121142673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).