4-(hydrazinesulfonyl)thiophene-2-carboxylic acid

C5H6N2O4S2 — CID 12704290

IUPAC4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
SMILESNNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C5H6N2O4S2/c6-7-13(10,11)3-1-4(5(8)9)12-2-3/h1-2,7H,6H2,(H,8,9)
InChIKeySPLXZXIXPYSDAW-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.40
Rot. Bonds3

About 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid

4-(hydrazinesulfonyl)thiophene-2-carboxylic acid (PubChem CID 12704290) has the molecular formula C5H6N2O4S2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
PubChem CID12704290
Molecular FormulaC5H6N2O4S2
Molecular Weight222.25 g/mol
Exact Mass221.98
IUPAC Name4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
SMILESNNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C5H6N2O4S2/c6-7-13(10,11)3-1-4(5(8)9)12-2-3/h1-2,7H,6H2,(H,8,9)
InChIKeySPLXZXIXPYSDAW-UHFFFAOYSA-N
XLogP-0.40
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106095780
4-[(2,6-dibromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63616649
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(but-3-yn-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114414816
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61062715
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617641
4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61063606
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55247817

Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid (CID 12704290) is 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid is NNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid?
The InChIKey is SPLXZXIXPYSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4S2/c6-7-13(10,11)3-1-4(5(8)9)12-2-3/h1-2,7H,6H2,(H,8,9).
What are the key properties of 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid?
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid has a molecular weight of 222.25 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinesulfonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 12704290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).