N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide

C16H16BrN3O3S — CID 53356005

IUPACN-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2c(Br)[nH]nc12
InChIInChI=1S/C16H16BrN3O3S/c1-3-23-13-9-8-12(14-15(13)18-19-16(14)17)20-24(21,22)11-6-4-10(2)5-7-11/h4-9,20H,3H2,1-2H3,(H,18,19)
InChIKeyULQXDZWCNOMSIZ-UHFFFAOYSA-N
MW410.29 g/mol
LogP3.83
Rot. Bonds5

About N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide

N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide (PubChem CID 53356005) has the molecular formula C16H16BrN3O3S and a molecular weight of 410.29 g/mol. Its IUPAC name is N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide
PubChem CID53356005
Molecular FormulaC16H16BrN3O3S
Molecular Weight410.29 g/mol
Exact Mass409.01
IUPAC NameN-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2c(Br)[nH]nc12
InChIInChI=1S/C16H16BrN3O3S/c1-3-23-13-9-8-12(14-15(13)18-19-16(14)17)20-24(21,22)11-6-4-10(2)5-7-11/h4-9,20H,3H2,1-2H3,(H,18,19)
InChIKeyULQXDZWCNOMSIZ-UHFFFAOYSA-N
XLogP3.83
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide (CID 53356005) is N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2c(Br)[nH]nc12.
What is the InChIKey of N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is ULQXDZWCNOMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3S/c1-3-23-13-9-8-12(14-15(13)18-19-16(14)17)20-24(21,22)11-6-4-10(2)5-7-11/h4-9,20H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide?
N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 410.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 53356005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).