1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide

C21H24FN3O6S2 — CID 24644512

IUPAC1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H24FN3O6S2/c22-16-6-1-2-8-20(16)33(30,31)25-13-5-7-18(25)21(27)23-17-14-15(9-10-19(17)26)32(28,29)24-11-3-4-12-24/h1-2,6,8-10,14,18,26H,3-5,7,11-13H2,(H,23,27)
InChIKeyYJSABVMBAOMAMM-UHFFFAOYSA-N
MW497.57 g/mol
LogP2.11
Rot. Bonds6

About 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide

1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 24644512) has the molecular formula C21H24FN3O6S2 and a molecular weight of 497.57 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID24644512
Molecular FormulaC21H24FN3O6S2
Molecular Weight497.57 g/mol
Exact Mass497.11
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H24FN3O6S2/c22-16-6-1-2-8-20(16)33(30,31)25-13-5-7-18(25)21(27)23-17-14-15(9-10-19(17)26)32(28,29)24-11-3-4-12-24/h1-2,6,8-10,14,18,26H,3-5,7,11-13H2,(H,23,27)
InChIKeyYJSABVMBAOMAMM-UHFFFAOYSA-N
XLogP2.11
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11936672
(2R)-N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 8795140
(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 43019338
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24615851
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
1-(2-fluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 24644596
1-acetyl-N-(2-fluorophenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956540
1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24654663
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 108802649
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 123755413

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 24644512) is 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YJSABVMBAOMAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O6S2/c22-16-6-1-2-8-20(16)33(30,31)25-13-5-7-18(25)21(27)23-17-14-15(9-10-19(17)26)32(28,29)24-11-3-4-12-24/h1-2,6,8-10,14,18,26H,3-5,7,11-13H2,(H,23,27).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24644512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).