3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C11H8N2O4S3 — CID 102747957

IUPAC3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1sccc1C#N
InChIInChI=1S/C11H8N2O4S3/c1-6-5-19-8(11(14)15)9(6)20(16,17)13-10-7(4-12)2-3-18-10/h2-3,5,13H,1H3,(H,14,15)
InChIKeyJYJNRPKMXIZMRB-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.49
Rot. Bonds4

About 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102747957) has the molecular formula C11H8N2O4S3 and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102747957
Molecular FormulaC11H8N2O4S3
Molecular Weight328.40 g/mol
Exact Mass327.96
IUPAC Name3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1sccc1C#N
InChIInChI=1S/C11H8N2O4S3/c1-6-5-19-8(11(14)15)9(6)20(16,17)13-10-7(4-12)2-3-18-10/h2-3,5,13H,1H3,(H,14,15)
InChIKeyJYJNRPKMXIZMRB-UHFFFAOYSA-N
XLogP2.49
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747563
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825
5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
CID 61217111
3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747775
3-[(2-bromo-3-methylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749098
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150
3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide
CID 61252023
3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747592
3-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748976

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102747957) is 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)Nc1sccc1C#N.
What is the InChIKey of 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is JYJNRPKMXIZMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4S3/c1-6-5-19-8(11(14)15)9(6)20(16,17)13-10-7(4-12)2-3-18-10/h2-3,5,13H,1H3,(H,14,15).
What are the key properties of 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 328.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102747957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).