N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide

C15H16N2O2S — CID 169371529

IUPACN-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C15H16N2O2S/c1-11-2-6-15(7-3-11)20(18,19)17-14-5-4-12-9-16-10-13(12)8-14/h2-8,16-17H,9-10H2,1H3
InChIKeyJAIRQCSMBVPIQK-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.40
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide

N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 169371529) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
PubChem CID169371529
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C15H16N2O2S/c1-11-2-6-15(7-3-11)20(18,19)17-14-5-4-12-9-16-10-13(12)8-14/h2-8,16-17H,9-10H2,1H3
InChIKeyJAIRQCSMBVPIQK-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide
CID 169372782
4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide
CID 164983603
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107589026
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
CID 10126239
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide (CID 169371529) is N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNC3)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is JAIRQCSMBVPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-2-6-15(7-3-11)20(18,19)17-14-5-4-12-9-16-10-13(12)8-14/h2-8,16-17H,9-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide?
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).