N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride

C18H23ClN2O2S — CID 10126239

IUPACN-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CNC3)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-2-3-4-14-5-8-17(9-6-14)20-23(21,22)18-10-7-15-12-19-13-16(15)11-18;/h5-11,19-20H,2-4,12-13H2,1H3;1H
InChIKeyGDFHPZOIOOSJRM-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.86
Rot. Bonds6

About N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride

N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride (PubChem CID 10126239) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
PubChem CID10126239
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CNC3)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-2-3-4-14-5-8-17(9-6-14)20-23(21,22)18-10-7-15-12-19-13-16(15)11-18;/h5-11,19-20H,2-4,12-13H2,1H3;1H
InChIKeyGDFHPZOIOOSJRM-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
2-amino-N-(4-butylphenyl)pyridine-4-sulfonamide
CID 62145322
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride?
The IUPAC name of N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride (CID 10126239) is N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride is CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CNC3)cc1.Cl.
What is the InChIKey of N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride?
The InChIKey is GDFHPZOIOOSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c1-2-3-4-14-5-8-17(9-6-14)20-23(21,22)18-10-7-15-12-19-13-16(15)11-18;/h5-11,19-20H,2-4,12-13H2,1H3;1H.
What are the key properties of N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride?
N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 10126239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).