3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C11H13N3O4S2 — CID 102748866

IUPAC3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H13N3O4S2/c1-7-6-19-9(11(15)16)10(7)20(17,18)14(2)5-8-12-3-4-13-8/h3-4,6H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyJDHUAAFCDFVABV-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.30
Rot. Bonds5

About 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102748866) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102748866
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H13N3O4S2/c1-7-6-19-9(11(15)16)10(7)20(17,18)14(2)5-8-12-3-4-13-8/h3-4,6H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyJDHUAAFCDFVABV-UHFFFAOYSA-N
XLogP1.30
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102748866) is 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is JDHUAAFCDFVABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-7-6-19-9(11(15)16)10(7)20(17,18)14(2)5-8-12-3-4-13-8/h3-4,6H,5H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102748866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).