6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide

C14H13N3O3S — CID 115602142

IUPAC6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H13N3O3S/c1-10-3-6-14(20-2)13(7-10)17-21(18,19)12-5-4-11(8-15)16-9-12/h3-7,9,17H,1-2H3
InChIKeyINRSYDJKMRCLFC-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.07
Rot. Bonds4

About 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide

6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide (PubChem CID 115602142) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
PubChem CID115602142
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H13N3O3S/c1-10-3-6-14(20-2)13(7-10)17-21(18,19)12-5-4-11(8-15)16-9-12/h3-7,9,17H,1-2H3
InChIKeyINRSYDJKMRCLFC-UHFFFAOYSA-N
XLogP2.07
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 115602183
5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
CID 115487429
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
CID 114612856
N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 115685368
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide (CID 115602142) is 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is INRSYDJKMRCLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-10-3-6-14(20-2)13(7-10)17-21(18,19)12-5-4-11(8-15)16-9-12/h3-7,9,17H,1-2H3.
What are the key properties of 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide?
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).