N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride

C19H22ClN5O3S — CID 120724129

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride
SMILESCl.Cn1ncnc1COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C19H21N5O3S.ClH/c1-24-19(21-13-22-24)12-27-17-4-6-18(7-5-17)28(25,26)23-9-14-2-3-15-10-20-11-16(15)8-14;/h2-8,13,20,23H,9-12H2,1H3;1H
InChIKeyPSKPGXVWAZZYLT-UHFFFAOYSA-N
MW435.94 g/mol
LogP1.90
Rot. Bonds7

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride (PubChem CID 120724129) has the molecular formula C19H22ClN5O3S and a molecular weight of 435.94 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride
PubChem CID120724129
Molecular FormulaC19H22ClN5O3S
Molecular Weight435.94 g/mol
Exact Mass435.11
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride
SMILESCl.Cn1ncnc1COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C19H21N5O3S.ClH/c1-24-19(21-13-22-24)12-27-17-4-6-18(7-5-17)28(25,26)23-9-14-2-3-15-10-20-11-16(15)8-14;/h2-8,13,20,23H,9-12H2,1H3;1H
InChIKeyPSKPGXVWAZZYLT-UHFFFAOYSA-N
XLogP1.90
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride 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-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride (CID 120724129) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride is Cl.Cn1ncnc1COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride?
The InChIKey is PSKPGXVWAZZYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S.ClH/c1-24-19(21-13-22-24)12-27-17-4-6-18(7-5-17)28(25,26)23-9-14-2-3-15-10-20-11-16(15)8-14;/h2-8,13,20,23H,9-12H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride has a molecular weight of 435.94 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120724129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).