N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide

C13H12N4O3S — CID 114612830

IUPACN-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H12N4O3S/c1-20-13-6-9(15)2-5-12(13)17-21(18,19)11-4-3-10(7-14)16-8-11/h2-6,8,17H,15H2,1H3
InChIKeyPJHGQMKGXVKTOX-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.34
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide

N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide (PubChem CID 114612830) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
PubChem CID114612830
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H12N4O3S/c1-20-13-6-9(15)2-5-12(13)17-21(18,19)11-4-3-10(7-14)16-8-11/h2-6,8,17H,15H2,1H3
InChIKeyPJHGQMKGXVKTOX-UHFFFAOYSA-N
XLogP1.34
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
CID 114612856
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 115602183
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265098
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177
5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 113321406
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 115685368

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide (CID 114612830) is N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide is COc1cc(N)ccc1NS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide?
The InChIKey is PJHGQMKGXVKTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-20-13-6-9(15)2-5-12(13)17-21(18,19)11-4-3-10(7-14)16-8-11/h2-6,8,17H,15H2,1H3.
What are the key properties of N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide?
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 114612830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).