1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride

C16H17Cl3N2O2S — CID 120724178

IUPAC1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C16H16Cl2N2O2S.ClH/c17-15-4-2-12(6-16(15)18)10-23(21,22)20-7-11-1-3-13-8-19-9-14(13)5-11;/h1-6,19-20H,7-10H2;1H
InChIKeyIPYAWGCHUYZKDA-UHFFFAOYSA-N
MW407.75 g/mol
LogP3.64
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride

1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride (PubChem CID 120724178) has the molecular formula C16H17Cl3N2O2S and a molecular weight of 407.75 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride
PubChem CID120724178
Molecular FormulaC16H17Cl3N2O2S
Molecular Weight407.75 g/mol
Exact Mass406.01
IUPAC Name1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C16H16Cl2N2O2S.ClH/c17-15-4-2-12(6-16(15)18)10-23(21,22)20-7-11-1-3-13-8-19-9-14(13)5-11;/h1-6,19-20H,7-10H2;1H
InChIKeyIPYAWGCHUYZKDA-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.75
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 120724098
methyl 2-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)acetate
CID 105357735
4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide
CID 106315502
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride
CID 120724137
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride
CID 120724092
methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate
CID 105357743
methyl 2-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoylmethyl)benzoate
CID 120724118
N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole
CID 105357723
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120724230
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56582075

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride (CID 120724178) is 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc2c(c1)CNC2.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride?
The InChIKey is IPYAWGCHUYZKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2S.ClH/c17-15-4-2-12(6-16(15)18)10-23(21,22)20-7-11-1-3-13-8-19-9-14(13)5-11;/h1-6,19-20H,7-10H2;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride?
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride has a molecular weight of 407.75 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120724178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).