5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

C9H10N4O4S2 — CID 113412441

IUPAC5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCn2ccnn2)s1
InChIInChI=1S/C9H10N4O4S2/c14-9(15)7-1-2-8(18-7)19(16,17)11-4-6-13-5-3-10-12-13/h1-3,5,11H,4,6H2,(H,14,15)
InChIKeyMMXFKRAACXFTKQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.02
Rot. Bonds6

About 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 113412441) has the molecular formula C9H10N4O4S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID113412441
Molecular FormulaC9H10N4O4S2
Molecular Weight302.34 g/mol
Exact Mass302.01
IUPAC Name5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCn2ccnn2)s1
InChIInChI=1S/C9H10N4O4S2/c14-9(15)7-1-2-8(18-7)19(16,17)11-4-6-13-5-3-10-12-13/h1-3,5,11H,4,6H2,(H,14,15)
InChIKeyMMXFKRAACXFTKQ-UHFFFAOYSA-N
XLogP0.02
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61462775
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162
5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
CID 106077013
2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
CID 107090248
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 114515088
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993
5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027372
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 114135368

Frequently Asked Questions

What is the IUPAC name of 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 113412441) is 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCCn2ccnn2)s1.
What is the InChIKey of 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is MMXFKRAACXFTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S2/c14-9(15)7-1-2-8(18-7)19(16,17)11-4-6-13-5-3-10-12-13/h1-3,5,11H,4,6H2,(H,14,15).
What are the key properties of 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 302.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 113412441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).