2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide

C12H10F2N2O3S — CID 11702158

IUPAC2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)n1)c1cc(F)ccc1F
InChIInChI=1S/C12H10F2N2O3S/c13-8-4-5-10(14)11(6-8)20(18,19)16-12-3-1-2-9(7-17)15-12/h1-6,17H,7H2,(H,15,16)
InChIKeyVSOKXIXPGGUTRP-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.65
Rot. Bonds4

About 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide

2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 11702158) has the molecular formula C12H10F2N2O3S and a molecular weight of 300.29 g/mol. Its IUPAC name is 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID11702158
Molecular FormulaC12H10F2N2O3S
Molecular Weight300.29 g/mol
Exact Mass300.04
IUPAC Name2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)n1)c1cc(F)ccc1F
InChIInChI=1S/C12H10F2N2O3S/c13-8-4-5-10(14)11(6-8)20(18,19)16-12-3-1-2-9(7-17)15-12/h1-6,17H,7H2,(H,15,16)
InChIKeyVSOKXIXPGGUTRP-UHFFFAOYSA-N
XLogP1.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide (CID 11702158) is 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CO)n1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is VSOKXIXPGGUTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3S/c13-8-4-5-10(14)11(6-8)20(18,19)16-12-3-1-2-9(7-17)15-12/h1-6,17H,7H2,(H,15,16).
What are the key properties of 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide?
2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 300.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 11702158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).