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

C16H14N4O3S — CID 71682142

IUPAC3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
SMILESCCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1C#N
InChIInChI=1S/C16H14N4O3S/c1-2-23-15-8-13-14(7-11(15)9-17)19-20-16(13)10-4-3-5-12(6-10)24(18,21)22/h3-8H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyNMJXLTYBAJJXCO-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.15
Rot. Bonds4

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

3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 71682142) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
PubChem CID71682142
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
SMILESCCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1C#N
InChIInChI=1S/C16H14N4O3S/c1-2-23-15-8-13-14(7-11(15)9-17)19-20-16(13)10-4-3-5-12(6-10)24(18,21)22/h3-8H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyNMJXLTYBAJJXCO-UHFFFAOYSA-N
XLogP2.15
TPSA121.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-Ethoxy-6-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Indazol-3-Yl]-2-Methylbenzenesulfonamide
CID 71576779
3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide
CID 53476531
3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675574
3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide
CID 67454621
3-(5-phenylmethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 68230037
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71682143
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 164609444
4-ethoxy-N-1H-indazol-6-yl-2,5-dimethylbenzenesulfonamide
CID 2237144
3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 71682299
3-[5-ethoxy-6-[1-(2-methylpropyl)pyrazol-4-yl]-1H-indazol-3-yl]benzenesulfonamide
CID 71682300

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide (CID 71682142) is 3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide is CCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1C#N.
What is the InChIKey of 3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is NMJXLTYBAJJXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-2-23-15-8-13-14(7-11(15)9-17)19-20-16(13)10-4-3-5-12(6-10)24(18,21)22/h3-8H,2H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide?
3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 342.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 71682142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).