N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide

C15H15N3O4S — CID 3780438

IUPACN-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1OC
InChIInChI=1S/C15H15N3O4S/c1-21-14-6-5-12(8-15(14)22-2)23(19,20)18-11-4-3-10-9-16-17-13(10)7-11/h3-9,18H,1-2H3,(H,16,17)
InChIKeyPUOPNZBFQUFOJI-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.38
Rot. Bonds5

About N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide

N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 3780438) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID3780438
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1OC
InChIInChI=1S/C15H15N3O4S/c1-21-14-6-5-12(8-15(14)22-2)23(19,20)18-11-4-3-10-9-16-17-13(10)7-11/h3-9,18H,1-2H3,(H,16,17)
InChIKeyPUOPNZBFQUFOJI-UHFFFAOYSA-N
XLogP2.38
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide (CID 3780438) is N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1OC.
What is the InChIKey of N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is PUOPNZBFQUFOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-21-14-6-5-12(8-15(14)22-2)23(19,20)18-11-4-3-10-9-16-17-13(10)7-11/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide?
N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3780438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).