N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide

C17H19N3O3S — CID 71454170

IUPACN-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2cn(C)nc12
InChIInChI=1S/C17H19N3O3S/c1-4-23-16-10-9-15(14-11-20(3)18-17(14)16)19-24(21,22)13-7-5-12(2)6-8-13/h5-11,19H,4H2,1-3H3
InChIKeyTXVGKHFEZSGWGO-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.08
Rot. Bonds5

About N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide

N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide (PubChem CID 71454170) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide
PubChem CID71454170
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2cn(C)nc12
InChIInChI=1S/C17H19N3O3S/c1-4-23-16-10-9-15(14-11-20(3)18-17(14)16)19-24(21,22)13-7-5-12(2)6-8-13/h5-11,19H,4H2,1-3H3
InChIKeyTXVGKHFEZSGWGO-UHFFFAOYSA-N
XLogP3.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide (CID 71454170) is N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2cn(C)nc12.
What is the InChIKey of N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is TXVGKHFEZSGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-4-23-16-10-9-15(14-11-20(3)18-17(14)16)19-24(21,22)13-7-5-12(2)6-8-13/h5-11,19H,4H2,1-3H3.
What are the key properties of N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide?
N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 71454170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).