2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide

C8H12N2O5S — CID 86115167

IUPAC2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1OCC(O)CO
InChIInChI=1S/C8H12N2O5S/c9-16(13,14)7-2-1-3-10-8(7)15-5-6(12)4-11/h1-3,6,11-12H,4-5H2,(H2,9,13,14)
InChIKeyDYMRPAYQYWDUHQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.54
Rot. Bonds5

About 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide

2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide (PubChem CID 86115167) has the molecular formula C8H12N2O5S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide
PubChem CID86115167
Molecular FormulaC8H12N2O5S
Molecular Weight248.26 g/mol
Exact Mass248.05
IUPAC Name2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1OCC(O)CO
InChIInChI=1S/C8H12N2O5S/c9-16(13,14)7-2-1-3-10-8(7)15-5-6(12)4-11/h1-3,6,11-12H,4-5H2,(H2,9,13,14)
InChIKeyDYMRPAYQYWDUHQ-UHFFFAOYSA-N
XLogP-1.54
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide?
The IUPAC name of 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide (CID 86115167) is 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide?
The canonical SMILES for 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1OCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide?
The InChIKey is DYMRPAYQYWDUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S/c9-16(13,14)7-2-1-3-10-8(7)15-5-6(12)4-11/h1-3,6,11-12H,4-5H2,(H2,9,13,14).
What are the key properties of 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide?
2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide has a molecular weight of 248.26 g/mol, XLogP of -1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 86115167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).