2-amino-N-(1H-indazol-3-yl)benzenesulfonamide

C13H12N4O2S — CID 67297051

IUPAC2-amino-N-(1H-indazol-3-yl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C13H12N4O2S/c14-10-6-2-4-8-12(10)20(18,19)17-13-9-5-1-3-7-11(9)15-16-13/h1-8H,14H2,(H2,15,16,17)
InChIKeyQSUBHBPDYUYKCT-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide

2-amino-N-(1H-indazol-3-yl)benzenesulfonamide (PubChem CID 67297051) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1H-indazol-3-yl)benzenesulfonamide
PubChem CID67297051
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-amino-N-(1H-indazol-3-yl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C13H12N4O2S/c14-10-6-2-4-8-12(10)20(18,19)17-13-9-5-1-3-7-11(9)15-16-13/h1-8H,14H2,(H2,15,16,17)
InChIKeyQSUBHBPDYUYKCT-UHFFFAOYSA-N
XLogP1.95
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide (CID 67297051) is 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1n[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is QSUBHBPDYUYKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-10-6-2-4-8-12(10)20(18,19)17-13-9-5-1-3-7-11(9)15-16-13/h1-8H,14H2,(H2,15,16,17).
What are the key properties of 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide?
2-amino-N-(1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 67297051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).