N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

C17H17F3N2O4S — CID 4881632

IUPACN-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)13-6-1-2-8-15(13)27(24,25)22-9-3-7-14(22)16(23)21-11-12-5-4-10-26-12/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,21,23)
InChIKeyVDZPVLMPGKUMBP-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.77
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 4881632) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID4881632
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)13-6-1-2-8-15(13)27(24,25)22-9-3-7-14(22)16(23)21-11-12-5-4-10-26-12/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,21,23)
InChIKeyVDZPVLMPGKUMBP-UHFFFAOYSA-N
XLogP2.77
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55598353
(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 51035281
(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 3854693
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2384447
1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 24625238
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
CID 2384446
1-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]butan-1-one
CID 68644078
methyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023574
(2S)-N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 8019206
(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide (CID 4881632) is N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is VDZPVLMPGKUMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)13-6-1-2-8-15(13)27(24,25)22-9-3-7-14(22)16(23)21-11-12-5-4-10-26-12/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 402.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4881632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).