ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate

C19H21N3O5S — CID 58574059

IUPACethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate
SMILESCCOC(=O)c1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)c2cn(C)nc2c1
InChIInChI=1S/C19H21N3O5S/c1-5-26-19(23)13-10-17-16(12-22(4)20-17)18(11-13)27-14-6-8-15(9-7-14)28(24,25)21(2)3/h6-12H,5H2,1-4H3
InChIKeyMWWIVOMSAZIMFP-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.79
Rot. Bonds6

About ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate

ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate (PubChem CID 58574059) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate
PubChem CID58574059
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Nameethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate
SMILESCCOC(=O)c1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)c2cn(C)nc2c1
InChIInChI=1S/C19H21N3O5S/c1-5-26-19(23)13-10-17-16(12-22(4)20-17)18(11-13)27-14-6-8-15(9-7-14)28(24,25)21(2)3/h6-12H,5H2,1-4H3
InChIKeyMWWIVOMSAZIMFP-UHFFFAOYSA-N
XLogP2.79
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
CID 71457592
ethyl 2-ethyl-4-[5-[methyl(methylsulfonyl)amino]pyrazin-2-yl]oxyindazole-6-carboxylate
CID 58574101
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7844343
ethyl 3-(dimethylsulfamoyl)-4,5-dimethylbenzoate
CID 86921528
ethyl 4-[3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanoylamino]benzoate
CID 53064133
ethyl 2-formyl-4-(4-methylsulfonylphenoxy)-2,3-dihydro-1-benzofuran-6-carboxylate
CID 88587430
ethyl 2-ethyl-4-[5-(methanesulfonamido)pyrazin-2-yl]oxyindazole-6-carboxylate
CID 58574041
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate
CID 9381384
(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2603742
ethyl 4-[azetidin-3-yl(methyl)sulfamoyl]benzoate
CID 66185248
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
ethyl 1-ethyl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]methyl]benzimidazole-5-carboxylate
CID 4169666

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate?
The IUPAC name of ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate (CID 58574059) is ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate.
What is the SMILES notation for ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate?
The canonical SMILES for ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate is CCOC(=O)c1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)c2cn(C)nc2c1.
What is the InChIKey of ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate?
The InChIKey is MWWIVOMSAZIMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-5-26-19(23)13-10-17-16(12-22(4)20-17)18(11-13)27-14-6-8-15(9-7-14)28(24,25)21(2)3/h6-12H,5H2,1-4H3.
What are the key properties of ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate?
ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate has a molecular weight of 403.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(dimethylsulfamoyl)phenoxy]-2-methylindazole-6-carboxylate is sourced from PubChem (CID 58574059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).