2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide

C12H10F6N2O3S — CID 3425446

IUPAC2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1)C(F)(F)F
InChIInChI=1S/C12H10F6N2O3S/c13-7-1-2-8(10(15)9(7)14)24(22,23)20-4-3-6(5-20)19-11(21)12(16,17)18/h1-2,6H,3-5H2,(H,19,21)
InChIKeyNVOYHHCQOVBVOU-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.55
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide (PubChem CID 3425446) has the molecular formula C12H10F6N2O3S and a molecular weight of 376.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide
PubChem CID3425446
Molecular FormulaC12H10F6N2O3S
Molecular Weight376.28 g/mol
Exact Mass376.03
IUPAC Name2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1)C(F)(F)F
InChIInChI=1S/C12H10F6N2O3S/c13-7-1-2-8(10(15)9(7)14)24(22,23)20-4-3-6(5-20)19-11(21)12(16,17)18/h1-2,6H,3-5H2,(H,19,21)
InChIKeyNVOYHHCQOVBVOU-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957
N-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 134091455
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
ethyl N-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]carbamate
CID 47065048
N-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 4669272
(3S,4S)-4-hydroxy-1-(2,3,4-trifluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 135100519
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
(4aS,8aS)-2-(2,3,4-trifluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926596
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone
CID 136542506
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide (CID 3425446) is 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide is O=C(NC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide?
The InChIKey is NVOYHHCQOVBVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2O3S/c13-7-1-2-8(10(15)9(7)14)24(22,23)20-4-3-6(5-20)19-11(21)12(16,17)18/h1-2,6H,3-5H2,(H,19,21).
What are the key properties of 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide has a molecular weight of 376.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 3425446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).