5-(benzenesulfonyl)-1H-indazol-3-amine

C13H11N3O2S — CID 66736165

IUPAC5-(benzenesulfonyl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C13H11N3O2S/c14-13-11-8-10(6-7-12(11)15-16-13)19(17,18)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16)
InChIKeyNVLLPZRGYRFUAL-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.98
Rot. Bonds2

About 5-(benzenesulfonyl)-1H-indazol-3-amine

5-(benzenesulfonyl)-1H-indazol-3-amine (PubChem CID 66736165) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1H-indazol-3-amine
PubChem CID66736165
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name5-(benzenesulfonyl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C13H11N3O2S/c14-13-11-8-10(6-7-12(11)15-16-13)19(17,18)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16)
InChIKeyNVLLPZRGYRFUAL-UHFFFAOYSA-N
XLogP1.98
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1H-indazol-3-amine?
The IUPAC name of 5-(benzenesulfonyl)-1H-indazol-3-amine (CID 66736165) is 5-(benzenesulfonyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-1H-indazol-3-amine?
The canonical SMILES for 5-(benzenesulfonyl)-1H-indazol-3-amine is Nc1n[nH]c2ccc(S(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of 5-(benzenesulfonyl)-1H-indazol-3-amine?
The InChIKey is NVLLPZRGYRFUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-13-11-8-10(6-7-12(11)15-16-13)19(17,18)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16).
What are the key properties of 5-(benzenesulfonyl)-1H-indazol-3-amine?
5-(benzenesulfonyl)-1H-indazol-3-amine has a molecular weight of 273.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1H-indazol-3-amine is sourced from PubChem (CID 66736165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).