1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

C18H19FN2O3S2 — CID 18150594

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESCSc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O3S2/c1-25-15-5-2-4-14(12-15)20-18(22)17-6-3-11-21(17)26(23,24)16-9-7-13(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)
InChIKeyJVDFLJHOXDXEAO-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide (PubChem CID 18150594) has the molecular formula C18H19FN2O3S2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
PubChem CID18150594
Molecular FormulaC18H19FN2O3S2
Molecular Weight394.49 g/mol
Exact Mass394.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESCSc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O3S2/c1-25-15-5-2-4-14(12-15)20-18(22)17-6-3-11-21(17)26(23,24)16-9-7-13(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)
InChIKeyJVDFLJHOXDXEAO-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2S)-1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 40799614
1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 43019338
2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 42065287
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide (CID 18150594) is 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide is CSc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is JVDFLJHOXDXEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S2/c1-25-15-5-2-4-14(12-15)20-18(22)17-6-3-11-21(17)26(23,24)16-9-7-13(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 18150594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).