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

C19H19N5O3S — CID 54675574

IUPAC3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
SMILESCCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(C)c1
InChIInChI=1S/C19H19N5O3S/c1-3-27-18-9-16-17(8-15(18)13-10-21-24(2)11-13)22-23-19(16)12-5-4-6-14(7-12)28(20,25)26/h4-11H,3H2,1-2H3,(H,22,23)(H2,20,25,26)
InChIKeyNKFDCMFJEHBWMX-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.68
Rot. Bonds5

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

3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide (PubChem CID 54675574) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
PubChem CID54675574
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
SMILESCCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(C)c1
InChIInChI=1S/C19H19N5O3S/c1-3-27-18-9-16-17(8-15(18)13-10-21-24(2)11-13)22-23-19(16)12-5-4-6-14(7-12)28(20,25)26/h4-11H,3H2,1-2H3,(H,22,23)(H2,20,25,26)
InChIKeyNKFDCMFJEHBWMX-UHFFFAOYSA-N
XLogP2.68
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide (CID 54675574) is 3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide is CCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(C)c1.
What is the InChIKey of 3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
The InChIKey is NKFDCMFJEHBWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-3-27-18-9-16-17(8-15(18)13-10-21-24(2)11-13)22-23-19(16)12-5-4-6-14(7-12)28(20,25)26/h4-11H,3H2,1-2H3,(H,22,23)(H2,20,25,26).
What are the key properties of 3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 54675574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).