5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide

C13H9N3O3S2 — CID 106266828

IUPAC5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C13H9N3O3S2/c1-19-12-6-9(7-14)2-4-11(12)16-21(17,18)13-5-3-10(8-15)20-13/h2-6,16H,1H3
InChIKeyZYUNYKWPSANXAP-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.30
Rot. Bonds4

About 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide

5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 106266828) has the molecular formula C13H9N3O3S2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID106266828
Molecular FormulaC13H9N3O3S2
Molecular Weight319.37 g/mol
Exact Mass319.01
IUPAC Name5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C13H9N3O3S2/c1-19-12-6-9(7-14)2-4-11(12)16-21(17,18)13-5-3-10(8-15)20-13/h2-6,16H,1H3
InChIKeyZYUNYKWPSANXAP-UHFFFAOYSA-N
XLogP2.30
TPSA102.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265098
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167476347
5-cyano-N-(5-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 106266766
N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 104849801
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
methyl 3-[[5-cyano-2-(5-cyanothiophen-2-yl)phenyl]sulfamoyl]-4-methoxybenzoate
CID 155271358
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide (CID 106266828) is 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide is COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is ZYUNYKWPSANXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S2/c1-19-12-6-9(7-14)2-4-11(12)16-21(17,18)13-5-3-10(8-15)20-13/h2-6,16H,1H3.
What are the key properties of 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide?
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106266828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).