3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C12H12N2O4S — CID 81259188

IUPAC3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(O)c2)cn1
InChIInChI=1S/C12H12N2O4S/c1-18-12-6-5-9(8-13-12)14-19(16,17)11-4-2-3-10(15)7-11/h2-8,14-15H,1H3
InChIKeyCXXPDOSQNRMLOU-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.60
Rot. Bonds4

About 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 81259188) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID81259188
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(O)c2)cn1
InChIInChI=1S/C12H12N2O4S/c1-18-12-6-5-9(8-13-12)14-19(16,17)11-4-2-3-10(15)7-11/h2-8,14-15H,1H3
InChIKeyCXXPDOSQNRMLOU-UHFFFAOYSA-N
XLogP1.60
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 47062724
2-hydrazinyl-N-(6-methoxy-3-pyridinyl)pyridine-4-sulfonamide
CID 61004702
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62149708
3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589119
N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
6-(aminomethyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 114613006
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 110620835
5-chloro-6-hydrazinyl-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 64606447
6-(ethylamino)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62150604

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 81259188) is 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(O)c2)cn1.
What is the InChIKey of 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is CXXPDOSQNRMLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-18-12-6-5-9(8-13-12)14-19(16,17)11-4-2-3-10(15)7-11/h2-8,14-15H,1H3.
What are the key properties of 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 280.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 81259188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).