1-(benzenesulfonyl)indazol-4-amine

C13H11N3O2S — CID 88992667

IUPAC1-(benzenesulfonyl)indazol-4-amine
SMILESNc1cccc2c1cnn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N3O2S/c14-12-7-4-8-13-11(12)9-15-16(13)19(17,18)10-5-2-1-3-6-10/h1-9H,14H2
InChIKeyFWOACJNQDVFAOK-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.86
Rot. Bonds2

About 1-(benzenesulfonyl)indazol-4-amine

1-(benzenesulfonyl)indazol-4-amine (PubChem CID 88992667) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)indazol-4-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)indazol-4-amine
PubChem CID88992667
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name1-(benzenesulfonyl)indazol-4-amine
SMILESNc1cccc2c1cnn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N3O2S/c14-12-7-4-8-13-11(12)9-15-16(13)19(17,18)10-5-2-1-3-6-10/h1-9H,14H2
InChIKeyFWOACJNQDVFAOK-UHFFFAOYSA-N
XLogP1.86
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)indazol-4-amine?
The IUPAC name of 1-(benzenesulfonyl)indazol-4-amine (CID 88992667) is 1-(benzenesulfonyl)indazol-4-amine.
What is the SMILES notation for 1-(benzenesulfonyl)indazol-4-amine?
The canonical SMILES for 1-(benzenesulfonyl)indazol-4-amine is Nc1cccc2c1cnn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)indazol-4-amine?
The InChIKey is FWOACJNQDVFAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-12-7-4-8-13-11(12)9-15-16(13)19(17,18)10-5-2-1-3-6-10/h1-9H,14H2.
What are the key properties of 1-(benzenesulfonyl)indazol-4-amine?
1-(benzenesulfonyl)indazol-4-amine has a molecular weight of 273.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)indazol-4-amine is sourced from PubChem (CID 88992667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).