[2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid

C14H13N3O4S2 — CID 175242993

IUPAC[2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid
SMILESO=S(O)Cc1ccccc1S(=O)(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H13N3O4S2/c18-22(19)9-10-3-1-2-4-14(10)23(20,21)17-12-5-6-13-11(7-12)8-15-16-13/h1-8,17H,9H2,(H,15,16)(H,18,19)
InChIKeyYHMZTDGZHCHATD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.09
Rot. Bonds5

About [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid

[2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid (PubChem CID 175242993) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid.

Molecular Properties

Compound Name[2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid
PubChem CID175242993
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name[2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid
SMILESO=S(O)Cc1ccccc1S(=O)(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H13N3O4S2/c18-22(19)9-10-3-1-2-4-14(10)23(20,21)17-12-5-6-13-11(7-12)8-15-16-13/h1-8,17H,9H2,(H,15,16)(H,18,19)
InChIKeyYHMZTDGZHCHATD-UHFFFAOYSA-N
XLogP2.09
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide
CID 70645024
5-(sulfinoamino)-1H-indazole
CID 68877895
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
2-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 2445035
N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2445030
2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 61061401
5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
CID 39832395
N-(1H-indazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 140564692
N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
CID 39832274
methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
CID 40687663
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
CID 61112730
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid?
The IUPAC name of [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid (CID 175242993) is [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid.
What is the SMILES notation for [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid?
The canonical SMILES for [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid is O=S(O)Cc1ccccc1S(=O)(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid?
The InChIKey is YHMZTDGZHCHATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c18-22(19)9-10-3-1-2-4-14(10)23(20,21)17-12-5-6-13-11(7-12)8-15-16-13/h1-8,17H,9H2,(H,15,16)(H,18,19).
What are the key properties of [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid?
[2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid has a molecular weight of 351.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid is sourced from PubChem (CID 175242993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).