3-iodo-2H-indazole-5-sulfonic acid

C7H5IN2O3S — CID 91245688

IUPAC3-iodo-2H-indazole-5-sulfonic acid
SMILESO=S(=O)(O)c1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H5IN2O3S/c8-7-5-3-4(14(11,12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)(H,11,12,13)
InChIKeyGQYDIFRNXRLKEI-UHFFFAOYSA-N
MW324.10 g/mol
LogP1.41
Rot. Bonds1

About 3-iodo-2H-indazole-5-sulfonic acid

3-iodo-2H-indazole-5-sulfonic acid (PubChem CID 91245688) has the molecular formula C7H5IN2O3S and a molecular weight of 324.10 g/mol. Its IUPAC name is 3-iodo-2H-indazole-5-sulfonic acid.

Molecular Properties

Compound Name3-iodo-2H-indazole-5-sulfonic acid
PubChem CID91245688
Molecular FormulaC7H5IN2O3S
Molecular Weight324.10 g/mol
Exact Mass323.91
IUPAC Name3-iodo-2H-indazole-5-sulfonic acid
SMILESO=S(=O)(O)c1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H5IN2O3S/c8-7-5-3-4(14(11,12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)(H,11,12,13)
InChIKeyGQYDIFRNXRLKEI-UHFFFAOYSA-N
XLogP1.41
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15,24,33-tetrasulfonic acid
CID 136722617
3-ethyl-5-methylsulfonyl-2H-indazole
CID 123885743
potassium;3H-benzimidazole-5-sulfonic acid;hydride
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3-hydroxy-2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-1H-indole-5-sulfonic acid
CID 14550091
azane;1,3-dichloro-2-benzothiophene-5-sulfonic acid
CID 173329335
CID 87126465
CID 87126465
6-phenylphenanthridine-8-sulfonic acid
CID 88948296
4-(3-iodo-2H-indazol-5-yl)piperidine-1-carboxylic acid
CID 67981320
1,4-dihydroxynaphthalene-2,7-disulfonic acid
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CID 6330612
CID 6330612
indigane;4-iodobenzenesulfonic acid
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2-(nitrosomethyl)-3H-benzimidazole-5-sulfonic acid
CID 138745875

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2H-indazole-5-sulfonic acid?
The IUPAC name of 3-iodo-2H-indazole-5-sulfonic acid (CID 91245688) is 3-iodo-2H-indazole-5-sulfonic acid.
What is the SMILES notation for 3-iodo-2H-indazole-5-sulfonic acid?
The canonical SMILES for 3-iodo-2H-indazole-5-sulfonic acid is O=S(=O)(O)c1ccc2n[nH]c(I)c2c1.
What is the InChIKey of 3-iodo-2H-indazole-5-sulfonic acid?
The InChIKey is GQYDIFRNXRLKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O3S/c8-7-5-3-4(14(11,12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)(H,11,12,13).
What are the key properties of 3-iodo-2H-indazole-5-sulfonic acid?
3-iodo-2H-indazole-5-sulfonic acid has a molecular weight of 324.10 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2H-indazole-5-sulfonic acid is sourced from PubChem (CID 91245688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).