3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide

C12H11FN2O3S — CID 103300513

IUPAC3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1ncccc1F
InChIInChI=1S/C12H11FN2O3S/c13-10-5-3-7-14-12(10)19(17,18)15-8-9-4-1-2-6-11(9)16/h1-7,15-16H,8H2
InChIKeyHPHMWDMNXYZQDE-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.40
Rot. Bonds4

About 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide

3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide (PubChem CID 103300513) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide
PubChem CID103300513
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1O)c1ncccc1F
InChIInChI=1S/C12H11FN2O3S/c13-10-5-3-7-14-12(10)19(17,18)15-8-9-4-1-2-6-11(9)16/h1-7,15-16H,8H2
InChIKeyHPHMWDMNXYZQDE-UHFFFAOYSA-N
XLogP1.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 107233950
N-[[3-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 103308357
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299092
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006728
3-fluoro-N-[(1-hydroxycyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300168
4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide
CID 103300665
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide (CID 103300513) is 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide is O=S(=O)(NCc1ccccc1O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide?
The InChIKey is HPHMWDMNXYZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c13-10-5-3-7-14-12(10)19(17,18)15-8-9-4-1-2-6-11(9)16/h1-7,15-16H,8H2.
What are the key properties of 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide?
3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103300513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).