3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide

C21H19N3O3S — CID 71682298

IUPAC3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
SMILESCCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1ccccc1
InChIInChI=1S/C21H19N3O3S/c1-2-27-20-13-18-19(12-17(20)14-7-4-3-5-8-14)23-24-21(18)15-9-6-10-16(11-15)28(22,25)26/h3-13H,2H2,1H3,(H,23,24)(H2,22,25,26)
InChIKeyXFOJMXXNZBEGDH-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.94
Rot. Bonds5

About 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide

3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 71682298) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
PubChem CID71682298
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
SMILESCCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1ccccc1
InChIInChI=1S/C21H19N3O3S/c1-2-27-20-13-18-19(12-17(20)14-7-4-3-5-8-14)23-24-21(18)15-9-6-10-16(11-15)28(22,25)26/h3-13H,2H2,1H3,(H,23,24)(H2,22,25,26)
InChIKeyXFOJMXXNZBEGDH-UHFFFAOYSA-N
XLogP3.94
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide (CID 71682298) is 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide is CCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1ccccc1.
What is the InChIKey of 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is XFOJMXXNZBEGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-2-27-20-13-18-19(12-17(20)14-7-4-3-5-8-14)23-24-21(18)15-9-6-10-16(11-15)28(22,25)26/h3-13H,2H2,1H3,(H,23,24)(H2,22,25,26).
What are the key properties of 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide?
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 71682298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).