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

C17H19N3O4S — CID 17446156

IUPAC3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1OCC
InChIInChI=1S/C17H19N3O4S/c1-3-23-16-8-7-14(10-17(16)24-4-2)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)
InChIKeyGLYMGQPOWBGPES-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.16
Rot. Bonds7

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

3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide (PubChem CID 17446156) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide
PubChem CID17446156
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1OCC
InChIInChI=1S/C17H19N3O4S/c1-3-23-16-8-7-14(10-17(16)24-4-2)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)
InChIKeyGLYMGQPOWBGPES-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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide (CID 17446156) is 3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide?
The InChIKey is GLYMGQPOWBGPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-23-16-8-7-14(10-17(16)24-4-2)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 3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide?
3,4-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 3,4-diethoxy-N-(1H-indazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 17446156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).