2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide

C17H19N3O4S — CID 5298114

IUPAC2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C17H19N3O4S/c1-3-23-14-7-8-16(24-4-2)17(10-14)25(21,22)20-13-6-5-12-11-18-19-15(12)9-13/h5-11,20H,3-4H2,1-2H3,(H,18,19)
InChIKeyQVPJMBNJLWJIBL-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.16
Rot. Bonds7

About 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide

2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide (PubChem CID 5298114) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide
PubChem CID5298114
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C17H19N3O4S/c1-3-23-14-7-8-16(24-4-2)17(10-14)25(21,22)20-13-6-5-12-11-18-19-15(12)9-13/h5-11,20H,3-4H2,1-2H3,(H,18,19)
InChIKeyQVPJMBNJLWJIBL-UHFFFAOYSA-N
XLogP3.16
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide 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 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide?
The IUPAC name of 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide (CID 5298114) is 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide?
The InChIKey is QVPJMBNJLWJIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-23-14-7-8-16(24-4-2)17(10-14)25(21,22)20-13-6-5-12-11-18-19-15(12)9-13/h5-11,20H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide?
2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 5298114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).