3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide

C20H19N5O3S — CID 122455287

IUPAC3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide
SMILESCCOCc1cn(-c2cccc(S(=O)(=O)Nc3ccc4cnccc4c3)c2)nn1
InChIInChI=1S/C20H19N5O3S/c1-2-28-14-18-13-25(24-22-18)19-4-3-5-20(11-19)29(26,27)23-17-7-6-16-12-21-9-8-15(16)10-17/h3-13,23H,2,14H2,1H3
InChIKeyOFOYXROIBVPQFW-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.15
Rot. Bonds7

About 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide

3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide (PubChem CID 122455287) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide
PubChem CID122455287
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide
SMILESCCOCc1cn(-c2cccc(S(=O)(=O)Nc3ccc4cnccc4c3)c2)nn1
InChIInChI=1S/C20H19N5O3S/c1-2-28-14-18-13-25(24-22-18)19-4-3-5-20(11-19)29(26,27)23-17-7-6-16-12-21-9-8-15(16)10-17/h3-13,23H,2,14H2,1H3
InChIKeyOFOYXROIBVPQFW-UHFFFAOYSA-N
XLogP3.15
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-isoquinolin-6-ylbenzenesulfonamide
CID 122455242
3-acetyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 121198196
3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid
CID 175905249
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86858423
N-[4-(tetrazol-1-yl)phenyl]naphthalene-2-sulfonamide
CID 2467029
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 44544901
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide?
The IUPAC name of 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide (CID 122455287) is 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide.
What is the SMILES notation for 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide?
The canonical SMILES for 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide is CCOCc1cn(-c2cccc(S(=O)(=O)Nc3ccc4cnccc4c3)c2)nn1.
What is the InChIKey of 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide?
The InChIKey is OFOYXROIBVPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-2-28-14-18-13-25(24-22-18)19-4-3-5-20(11-19)29(26,27)23-17-7-6-16-12-21-9-8-15(16)10-17/h3-13,23H,2,14H2,1H3.
What are the key properties of 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide?
3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethoxymethyl)triazol-1-yl]-N-isoquinolin-6-ylbenzenesulfonamide is sourced from PubChem (CID 122455287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).