5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid

C12H9N3O4S2 — CID 39832395

IUPAC5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C12H9N3O4S2/c16-12(17)8-4-11(20-6-8)21(18,19)15-9-1-2-10-7(3-9)5-13-14-10/h1-6,15H,(H,13,14)(H,16,17)
InChIKeyIEFBFJYFNNTMHR-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.12
Rot. Bonds4

About 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid

5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 39832395) has the molecular formula C12H9N3O4S2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID39832395
Molecular FormulaC12H9N3O4S2
Molecular Weight323.36 g/mol
Exact Mass323.00
IUPAC Name5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C12H9N3O4S2/c16-12(17)8-4-11(20-6-8)21(18,19)15-9-1-2-10-7(3-9)5-13-14-10/h1-6,15H,(H,13,14)(H,16,17)
InChIKeyIEFBFJYFNNTMHR-UHFFFAOYSA-N
XLogP2.12
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 140564692
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
CID 40687663
5-(1,2-oxazol-4-ylsulfamoyl)thiophene-3-carboxylic acid
CID 62414676
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236887
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104937765
3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 122507570
5-(thiadiazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
CID 114911893
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 61061401

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid (CID 39832395) is 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is IEFBFJYFNNTMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4S2/c16-12(17)8-4-11(20-6-8)21(18,19)15-9-1-2-10-7(3-9)5-13-14-10/h1-6,15H,(H,13,14)(H,16,17).
What are the key properties of 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid?
5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 323.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 39832395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).