1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide

C17H17FN2O4S — CID 2948236

IUPAC1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4S/c18-12-3-9-15(10-4-12)25(23,24)20-11-1-2-16(20)17(22)19-13-5-7-14(21)8-6-13/h3-10,16,21H,1-2,11H2,(H,19,22)
InChIKeyYBFPUUYVGWPKNG-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.32
Rot. Bonds4

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

1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 2948236) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide
PubChem CID2948236
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4S/c18-12-3-9-15(10-4-12)25(23,24)20-11-1-2-16(20)17(22)19-13-5-7-14(21)8-6-13/h3-10,16,21H,1-2,11H2,(H,19,22)
InChIKeyYBFPUUYVGWPKNG-UHFFFAOYSA-N
XLogP2.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide (CID 2948236) is 1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(O)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YBFPUUYVGWPKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-12-3-9-15(10-4-12)25(23,24)20-11-1-2-16(20)17(22)19-13-5-7-14(21)8-6-13/h3-10,16,21H,1-2,11H2,(H,19,22).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(4-hydroxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2948236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).