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

C18H19FN2O5S2 — CID 3164181

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O5S2/c1-27(23,24)16-5-2-4-14(12-16)20-18(22)17-6-3-11-21(17)28(25,26)15-9-7-13(19)8-10-15/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)
InChIKeyDRTPWUANRMOBHC-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.02
Rot. Bonds5

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

1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 3164181) has the molecular formula C18H19FN2O5S2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID3164181
Molecular FormulaC18H19FN2O5S2
Molecular Weight426.49 g/mol
Exact Mass426.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O5S2/c1-27(23,24)16-5-2-4-14(12-16)20-18(22)17-6-3-11-21(17)28(25,26)15-9-7-13(19)8-10-15/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)
InChIKeyDRTPWUANRMOBHC-UHFFFAOYSA-N
XLogP2.02
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 3164181) is 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide is CS(=O)(=O)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is DRTPWUANRMOBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S2/c1-27(23,24)16-5-2-4-14(12-16)20-18(22)17-6-3-11-21(17)28(25,26)15-9-7-13(19)8-10-15/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-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3164181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).