3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid

C7H9NO6S2 — CID 138008020

IUPAC3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid
SMILESCOc1c(C(=O)O)sc(S(N)(=O)=O)c1OC
InChIInChI=1S/C7H9NO6S2/c1-13-3-4(14-2)7(16(8,11)12)15-5(3)6(9)10/h1-2H3,(H,9,10)(H2,8,11,12)
InChIKeyOZORAJJZNXBTLC-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.11
Rot. Bonds4

About 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid

3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid (PubChem CID 138008020) has the molecular formula C7H9NO6S2 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid
PubChem CID138008020
Molecular FormulaC7H9NO6S2
Molecular Weight267.28 g/mol
Exact Mass266.99
IUPAC Name3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid
SMILESCOc1c(C(=O)O)sc(S(N)(=O)=O)c1OC
InChIInChI=1S/C7H9NO6S2/c1-13-3-4(14-2)7(16(8,11)12)15-5(3)6(9)10/h1-2H3,(H,9,10)(H2,8,11,12)
InChIKeyOZORAJJZNXBTLC-UHFFFAOYSA-N
XLogP0.11
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3,4-dimethoxythiophene-2-carboxylic acid
CID 112545413
5-(azepan-1-ylmethyl)-3,4-dimethoxythiophene-2-sulfonamide
CID 139014427
3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
CID 83919270
2-methoxy-3-methyl-5-sulfamoylbenzoic acid
CID 70037529
5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
CID 139663921
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
4-bromo-3-methoxythiophene-2-carboxylic acid;methyl 4-bromo-3-methoxythiophene-2-carboxylate
CID 162093670
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360077
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
4-bromo-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 117258762

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid?
The IUPAC name of 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid (CID 138008020) is 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid.
What is the SMILES notation for 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid?
The canonical SMILES for 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid is COc1c(C(=O)O)sc(S(N)(=O)=O)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid?
The InChIKey is OZORAJJZNXBTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO6S2/c1-13-3-4(14-2)7(16(8,11)12)15-5(3)6(9)10/h1-2H3,(H,9,10)(H2,8,11,12).
What are the key properties of 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid?
3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid is sourced from PubChem (CID 138008020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).