N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide

C13H11N3O4S — CID 104849801

IUPACN-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C13H11N3O4S/c1-20-12-6-9(7-14)2-3-10(12)16-21(18,19)13-8-15-5-4-11(13)17/h2-6,8,16H,1H3,(H,15,17)
InChIKeyBEOCYMWJZSDOPG-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.06
Rot. Bonds4

About N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide

N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 104849801) has the molecular formula C13H11N3O4S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID104849801
Molecular FormulaC13H11N3O4S
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC NameN-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C13H11N3O4S/c1-20-12-6-9(7-14)2-3-10(12)16-21(18,19)13-8-15-5-4-11(13)17/h2-6,8,16H,1H3,(H,15,17)
InChIKeyBEOCYMWJZSDOPG-UHFFFAOYSA-N
XLogP1.06
TPSA112.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
2-(4-cyano-2-methoxyanilino)ethanesulfonamide
CID 114385179
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521156
5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 71970973
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815180
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953
N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167476347

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide (CID 104849801) is N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide is COc1cc(C#N)ccc1NS(=O)(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is BEOCYMWJZSDOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c1-20-12-6-9(7-14)2-3-10(12)16-21(18,19)13-8-15-5-4-11(13)17/h2-6,8,16H,1H3,(H,15,17).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide?
N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 305.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 104849801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).