N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide

C16H17N3O3S — CID 71454207

IUPACN-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2[nH]ncc12
InChIInChI=1S/C16H17N3O3S/c1-3-22-15-9-8-14(16-13(15)10-17-18-16)19-23(20,21)12-6-4-11(2)5-7-12/h4-10,19H,3H2,1-2H3,(H,17,18)
InChIKeyBGUMDLLJHYTCDI-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.07
Rot. Bonds5

About N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide

N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide (PubChem CID 71454207) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide
PubChem CID71454207
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2[nH]ncc12
InChIInChI=1S/C16H17N3O3S/c1-3-22-15-9-8-14(16-13(15)10-17-18-16)19-23(20,21)12-6-4-11(2)5-7-12/h4-10,19H,3H2,1-2H3,(H,17,18)
InChIKeyBGUMDLLJHYTCDI-UHFFFAOYSA-N
XLogP3.07
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide (CID 71454207) is N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2[nH]ncc12.
What is the InChIKey of N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide?
The InChIKey is BGUMDLLJHYTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-3-22-15-9-8-14(16-13(15)10-17-18-16)19-23(20,21)12-6-4-11(2)5-7-12/h4-10,19H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide?
N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 71454207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).