6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide

C17H18FN2O4S+ — CID 70908562

IUPAC6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)C2CCCC2)[n+](O)c1
InChIInChI=1S/C17H17FN2O4S/c18-13-6-8-14(9-7-13)19-17(21)12-5-10-16(20(22)11-12)25(23,24)15-3-1-2-4-15/h5-11,15H,1-4H2,(H-,19,21,22)/p+1
InChIKeyBNVYXDXHONBFQN-UHFFFAOYSA-O
MW365.41 g/mol
LogP2.32
Rot. Bonds4

About 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide

6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide (PubChem CID 70908562) has the molecular formula C17H18FN2O4S+ and a molecular weight of 365.41 g/mol. Its IUPAC name is 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide
PubChem CID70908562
Molecular FormulaC17H18FN2O4S+
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)C2CCCC2)[n+](O)c1
InChIInChI=1S/C17H17FN2O4S/c18-13-6-8-14(9-7-13)19-17(21)12-5-10-16(20(22)11-12)25(23,24)15-3-1-2-4-15/h5-11,15H,1-4H2,(H-,19,21,22)/p+1
InChIKeyBNVYXDXHONBFQN-UHFFFAOYSA-O
XLogP2.32
TPSA87.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide
CID 142152228
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
cyclohexyl-[5-[(4-fluorobenzoyl)amino]-2-pyridinyl]azanium chloride
CID 110176479
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide
CID 58708194
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide?
The IUPAC name of 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide (CID 70908562) is 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide.
What is the SMILES notation for 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide?
The canonical SMILES for 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)C2CCCC2)[n+](O)c1.
What is the InChIKey of 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide?
The InChIKey is BNVYXDXHONBFQN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17FN2O4S/c18-13-6-8-14(9-7-13)19-17(21)12-5-10-16(20(22)11-12)25(23,24)15-3-1-2-4-15/h5-11,15H,1-4H2,(H-,19,21,22)/p+1.
What are the key properties of 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide?
6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide has a molecular weight of 365.41 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 6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide is sourced from PubChem (CID 70908562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).