1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide

C24H24FN3O4S — CID 75298523

IUPAC1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C24H24FN3O4S/c1-32-23-12-7-19(16-26-23)18-5-2-4-17(14-18)15-27-24(29)22-6-3-13-28(22)33(30,31)21-10-8-20(25)9-11-21/h2,4-5,7-12,14,16,22H,3,6,13,15H2,1H3,(H,27,29)
InChIKeyPCWVKPWHVBSEQW-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.37
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 75298523) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID75298523
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C24H24FN3O4S/c1-32-23-12-7-19(16-26-23)18-5-2-4-17(14-18)15-27-24(29)22-6-3-13-28(22)33(30,31)21-10-8-20(25)9-11-21/h2,4-5,7-12,14,16,22H,3,6,13,15H2,1H3,(H,27,29)
InChIKeyPCWVKPWHVBSEQW-UHFFFAOYSA-N
XLogP3.37
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.37
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-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 75298523) is 1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide is COc1ccc(-c2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is PCWVKPWHVBSEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-32-23-12-7-19(16-26-23)18-5-2-4-17(14-18)15-27-24(29)22-6-3-13-28(22)33(30,31)21-10-8-20(25)9-11-21/h2,4-5,7-12,14,16,22H,3,6,13,15H2,1H3,(H,27,29).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[[3-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 3.37, 7 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-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75298523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).