N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide

C17H19FN2O4S — CID 166315629

IUPACN-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)NCCCS(=O)(=O)c2ccc(F)cc2)ncc1CO
InChIInChI=1S/C17H19FN2O4S/c1-12-9-16(20-10-13(12)11-21)17(22)19-7-2-8-25(23,24)15-5-3-14(18)4-6-15/h3-6,9-10,21H,2,7-8,11H2,1H3,(H,19,22)
InChIKeyXQHWVCQKOHYQDQ-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.62
Rot. Bonds7

About N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide

N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide (PubChem CID 166315629) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide
PubChem CID166315629
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)NCCCS(=O)(=O)c2ccc(F)cc2)ncc1CO
InChIInChI=1S/C17H19FN2O4S/c1-12-9-16(20-10-13(12)11-21)17(22)19-7-2-8-25(23,24)15-5-3-14(18)4-6-15/h3-6,9-10,21H,2,7-8,11H2,1H3,(H,19,22)
InChIKeyXQHWVCQKOHYQDQ-UHFFFAOYSA-N
XLogP1.62
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide
CID 74232862
N-acetyl-5-[2-(2,5-difluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-yl]-4-methylpyridine-2-carboxamide
CID 68909497
3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane
CID 140697839
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639829
N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165419939
N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 154749734
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide (CID 166315629) is N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide is Cc1cc(C(=O)NCCCS(=O)(=O)c2ccc(F)cc2)ncc1CO.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide?
The InChIKey is XQHWVCQKOHYQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12-9-16(20-10-13(12)11-21)17(22)19-7-2-8-25(23,24)15-5-3-14(18)4-6-15/h3-6,9-10,21H,2,7-8,11H2,1H3,(H,19,22).
What are the key properties of N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide?
N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 166315629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).