5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide

C13H12N2O4S2 — CID 106266909

IUPAC5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C#N)s2)c(OC)c1
InChIInChI=1S/C13H12N2O4S2/c1-18-9-3-5-11(12(7-9)19-2)15-21(16,17)13-6-4-10(8-14)20-13/h3-7,15H,1-2H3
InChIKeyXJJKLOQZZJGMBV-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.44
Rot. Bonds5

About 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide

5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide (PubChem CID 106266909) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
PubChem CID106266909
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Name5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C#N)s2)c(OC)c1
InChIInChI=1S/C13H12N2O4S2/c1-18-9-3-5-11(12(7-9)19-2)15-21(16,17)13-6-4-10(8-14)20-13/h3-7,15H,1-2H3
InChIKeyXJJKLOQZZJGMBV-UHFFFAOYSA-N
XLogP2.44
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265098
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
5-[(2,4-dimethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115675634
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide
CID 106273443
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide
CID 106266016

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide (CID 106266909) is 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C#N)s2)c(OC)c1.
What is the InChIKey of 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is XJJKLOQZZJGMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c1-18-9-3-5-11(12(7-9)19-2)15-21(16,17)13-6-4-10(8-14)20-13/h3-7,15H,1-2H3.
What are the key properties of 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide?
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 324.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106266909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).