2-amino-N-(1H-indazol-4-yl)benzenesulfonamide

C13H12N4O2S — CID 61113813

IUPAC2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C13H12N4O2S/c14-10-4-1-2-7-13(10)20(18,19)17-12-6-3-5-11-9(12)8-15-16-11/h1-8,17H,14H2,(H,15,16)
InChIKeyZPLYQMJHEVMPQZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-N-(1H-indazol-4-yl)benzenesulfonamide

2-amino-N-(1H-indazol-4-yl)benzenesulfonamide (PubChem CID 61113813) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-amino-N-(1H-indazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
PubChem CID61113813
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C13H12N4O2S/c14-10-4-1-2-7-13(10)20(18,19)17-12-6-3-5-11-9(12)8-15-16-11/h1-8,17H,14H2,(H,15,16)
InChIKeyZPLYQMJHEVMPQZ-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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Related Compounds

2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
CID 60524877
2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61216548
3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide
CID 61112113
2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide
CID 60579057
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 60579360
4-(1H-indazol-4-ylsulfamoyl)benzamide
CID 60524919
2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
1H-indazol-4-amine;dihydrochloride
CID 18779330
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(1H-indazol-4-yl)benzenesulfonamide (CID 61113813) is 2-amino-N-(1H-indazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1H-indazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(1H-indazol-4-yl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 2-amino-N-(1H-indazol-4-yl)benzenesulfonamide?
The InChIKey is ZPLYQMJHEVMPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-10-4-1-2-7-13(10)20(18,19)17-12-6-3-5-11-9(12)8-15-16-11/h1-8,17H,14H2,(H,15,16).
What are the key properties of 2-amino-N-(1H-indazol-4-yl)benzenesulfonamide?
2-amino-N-(1H-indazol-4-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-4-yl)benzenesulfonamide is sourced from PubChem (CID 61113813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).