6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide

C12H12N2O4S — CID 107858246

IUPAC6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NOCc2ccccc2)c[nH]1
InChIInChI=1S/C12H12N2O4S/c15-12-7-6-11(8-13-12)19(16,17)14-18-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,13,15)
InChIKeyACYWVGDBDNDPQH-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.79
Rot. Bonds5

About 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide

6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide (PubChem CID 107858246) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide
PubChem CID107858246
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NOCc2ccccc2)c[nH]1
InChIInChI=1S/C12H12N2O4S/c15-12-7-6-11(8-13-12)19(16,17)14-18-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,13,15)
InChIKeyACYWVGDBDNDPQH-UHFFFAOYSA-N
XLogP0.79
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
CID 91087764
2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide
CID 11610982
1-Phenylmethoxy-3-(2-sulfamoylethyl)urea
CID 88200458
1-oxido-N-phenylmethoxy-1,2-dihydropyridin-1-ium-3-sulfonamide
CID 129073848
N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide
CID 143180727
ethane;N-[2-(phenylmethoxysulfamoyl)ethyl]propanamide
CID 143180744
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide
CID 24629932
N-(2-hydroxy-2-phenylethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629460
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-phenylmethoxyacetamide
CID 55338663
6-oxo-N-phenylmethoxy-1H-pyridine-3-carboxamide
CID 60669124
N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 60923418
N-[[3-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61003511

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide (CID 107858246) is 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NOCc2ccccc2)c[nH]1.
What is the InChIKey of 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide?
The InChIKey is ACYWVGDBDNDPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c15-12-7-6-11(8-13-12)19(16,17)14-18-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,13,15).
What are the key properties of 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide?
6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-phenylmethoxy-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 107858246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).