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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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).