3-(hydroxysulfamoyl)thiophene-2-carboxylic acid

C5H5NO5S2 — CID 115279685

IUPAC3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NO
InChIInChI=1S/C5H5NO5S2/c7-5(8)4-3(1-2-12-4)13(10,11)6-9/h1-2,6,9H,(H,7,8)
InChIKeyBUAAODFXBDWARJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.11
Rot. Bonds3

About 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid

3-(hydroxysulfamoyl)thiophene-2-carboxylic acid (PubChem CID 115279685) has the molecular formula C5H5NO5S2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
PubChem CID115279685
Molecular FormulaC5H5NO5S2
Molecular Weight223.23 g/mol
Exact Mass222.96
IUPAC Name3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NO
InChIInChI=1S/C5H5NO5S2/c7-5(8)4-3(1-2-12-4)13(10,11)6-9/h1-2,6,9H,(H,7,8)
InChIKeyBUAAODFXBDWARJ-UHFFFAOYSA-N
XLogP0.11
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid
CID 82720672
3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid
CID 79090175
3-sulfothiophene-2-carboxylic acid;hydrochloride
CID 174927942
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235689
3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 17221141
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114153141
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid (CID 115279685) is 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NO.
What is the InChIKey of 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is BUAAODFXBDWARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO5S2/c7-5(8)4-3(1-2-12-4)13(10,11)6-9/h1-2,6,9H,(H,7,8).
What are the key properties of 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid?
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxysulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 115279685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).