5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide

C20H21N5O3S — CID 71576779

IUPAC5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide
SMILESCCOc1cc2c(-c3ccc(C)c(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(C)c1
InChIInChI=1S/C20H21N5O3S/c1-4-28-18-9-16-17(8-15(18)14-10-22-25(3)11-14)23-24-20(16)13-6-5-12(2)19(7-13)29(21,26)27/h5-11H,4H2,1-3H3,(H,23,24)(H2,21,26,27)
InChIKeyCITPEYUXGCJVRV-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.98
Rot. Bonds5

About 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide

5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide (PubChem CID 71576779) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide
PubChem CID71576779
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide
SMILESCCOc1cc2c(-c3ccc(C)c(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(C)c1
InChIInChI=1S/C20H21N5O3S/c1-4-28-18-9-16-17(8-15(18)14-10-22-25(3)11-14)23-24-20(16)13-6-5-12(2)19(7-13)29(21,26)27/h5-11H,4H2,1-3H3,(H,23,24)(H2,21,26,27)
InChIKeyCITPEYUXGCJVRV-UHFFFAOYSA-N
XLogP2.98
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675574
3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682142
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
4-ethoxy-N-1H-indazol-6-yl-2,5-dimethylbenzenesulfonamide
CID 2237144
3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675542
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
CID 134807319
CID 134807319
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide
CID 24999901
3-Fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]benzenamine
CID 66767051
4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline
CID 66767156
N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide
CID 69167323

Frequently Asked Questions

What is the IUPAC name of 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide (CID 71576779) is 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide is CCOc1cc2c(-c3ccc(C)c(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(C)c1.
What is the InChIKey of 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is CITPEYUXGCJVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-4-28-18-9-16-17(8-15(18)14-10-22-25(3)11-14)23-24-20(16)13-6-5-12(2)19(7-13)29(21,26)27/h5-11H,4H2,1-3H3,(H,23,24)(H2,21,26,27).
What are the key properties of 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide?
5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 411.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 71576779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).