6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide

C12H10F2N2O3S2 — CID 46888096

IUPAC6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(Sc2ccc(F)c(F)c2)c(CO)c1
InChIInChI=1S/C12H10F2N2O3S2/c13-10-2-1-8(4-11(10)14)20-12-7(6-17)3-9(5-16-12)21(15,18)19/h1-5,17H,6H2,(H2,15,18,19)
InChIKeyCRFZOUPYNGVSGE-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.65
Rot. Bonds4

About 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide

6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide (PubChem CID 46888096) has the molecular formula C12H10F2N2O3S2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide
PubChem CID46888096
Molecular FormulaC12H10F2N2O3S2
Molecular Weight332.35 g/mol
Exact Mass332.01
IUPAC Name6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(Sc2ccc(F)c(F)c2)c(CO)c1
InChIInChI=1S/C12H10F2N2O3S2/c13-10-2-1-8(4-11(10)14)20-12-7(6-17)3-9(5-16-12)21(15,18)19/h1-5,17H,6H2,(H2,15,18,19)
InChIKeyCRFZOUPYNGVSGE-UHFFFAOYSA-N
XLogP1.65
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide (CID 46888096) is 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(Sc2ccc(F)c(F)c2)c(CO)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide?
The InChIKey is CRFZOUPYNGVSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3S2/c13-10-2-1-8(4-11(10)14)20-12-7(6-17)3-9(5-16-12)21(15,18)19/h1-5,17H,6H2,(H2,15,18,19).
What are the key properties of 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide?
6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide has a molecular weight of 332.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)sulfanyl-5-(hydroxymethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 46888096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).