3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide

C9H12N2O4S — CID 175809155

IUPAC3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide
SMILESO=S(=O)(NC1CC(O)C1)c1ccncc1O
InChIInChI=1S/C9H12N2O4S/c12-7-3-6(4-7)11-16(14,15)9-1-2-10-5-8(9)13/h1-2,5-7,11-13H,3-4H2
InChIKeyHALBSPSGMFFAHA-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.41
Rot. Bonds3

About 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide

3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide (PubChem CID 175809155) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide
PubChem CID175809155
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide
SMILESO=S(=O)(NC1CC(O)C1)c1ccncc1O
InChIInChI=1S/C9H12N2O4S/c12-7-3-6(4-7)11-16(14,15)9-1-2-10-5-8(9)13/h1-2,5-7,11-13H,3-4H2
InChIKeyHALBSPSGMFFAHA-UHFFFAOYSA-N
XLogP-0.41
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide?
The IUPAC name of 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide (CID 175809155) is 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide?
The canonical SMILES for 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide is O=S(=O)(NC1CC(O)C1)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide?
The InChIKey is HALBSPSGMFFAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-7-3-6(4-7)11-16(14,15)9-1-2-10-5-8(9)13/h1-2,5-7,11-13H,3-4H2.
What are the key properties of 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide?
3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide has a molecular weight of 244.27 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-hydroxycyclobutyl)pyridine-4-sulfonamide is sourced from PubChem (CID 175809155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).