4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride

C19H25ClN2O2S — CID 120724244

IUPAC4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-3-14(2)16-6-8-19(9-7-16)24(22,23)21-11-15-4-5-17-12-20-13-18(17)10-15;/h4-10,14,20-21H,3,11-13H2,1-2H3;1H
InChIKeyWAANACCHEOHNAM-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.70
Rot. Bonds6

About 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride

4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 120724244) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID120724244
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-3-14(2)16-6-8-19(9-7-16)24(22,23)21-11-15-4-5-17-12-20-13-18(17)10-15;/h4-10,14,20-21H,3,11-13H2,1-2H3;1H
InChIKeyWAANACCHEOHNAM-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)benzoate
CID 120724132
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-5-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120724268
4-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-N,2-dimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120876482
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 120724251
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole
CID 105357723
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide
CID 120876491
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120724230
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide;hydrochloride
CID 120724129
3-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methoxybenzenesulfonamide
CID 120724277

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride (CID 120724244) is 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride is CCC(C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1.Cl.
What is the InChIKey of 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is WAANACCHEOHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c1-3-14(2)16-6-8-19(9-7-16)24(22,23)21-11-15-4-5-17-12-20-13-18(17)10-15;/h4-10,14,20-21H,3,11-13H2,1-2H3;1H.
What are the key properties of 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride?
4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120724244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).