(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C17H15F3N2O3S — CID 11936672

IUPAC(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H15F3N2O3S/c18-11-7-8-14(13(20)10-11)21-17(23)15-5-3-9-22(15)26(24,25)16-6-2-1-4-12(16)19/h1-2,4,6-8,10,15H,3,5,9H2,(H,21,23)/t15-/m0/s1
InChIKeyAFHDBTWGWARQAJ-HNNXBMFYSA-N
MW384.38 g/mol
LogP2.90
Rot. Bonds4

About (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 11936672) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID11936672
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC Name(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H15F3N2O3S/c18-11-7-8-14(13(20)10-11)21-17(23)15-5-3-9-22(15)26(24,25)16-6-2-1-4-12(16)19/h1-2,4,6-8,10,15H,3,5,9H2,(H,21,23)/t15-/m0/s1
InChIKeyAFHDBTWGWARQAJ-HNNXBMFYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 8779936
1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 16925163
N-(2,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826422
(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 24644512
1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
CID 42933740
N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24639477
1-(4-chloro-2-fluorophenyl)-3-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]urea
CID 9291931
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 123755413
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 11936672) is (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is AFHDBTWGWARQAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c18-11-7-8-14(13(20)10-11)21-17(23)15-5-3-9-22(15)26(24,25)16-6-2-1-4-12(16)19/h1-2,4,6-8,10,15H,3,5,9H2,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11936672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).