N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride

C10H15ClN2O2S — CID 91642718

IUPACN,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CNC2.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-12(2)15(13,14)10-4-3-8-6-11-7-9(8)5-10;/h3-5,11H,6-7H2,1-2H3;1H
InChIKeyMLDKVKSVTFNGGM-UHFFFAOYSA-N
MW262.76 g/mol
LogP0.96
Rot. Bonds2

About N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride

N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride (PubChem CID 91642718) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
PubChem CID91642718
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CNC2.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-12(2)15(13,14)10-4-3-8-6-11-7-9(8)5-10;/h3-5,11H,6-7H2,1-2H3;1H
InChIKeyMLDKVKSVTFNGGM-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride?
The IUPAC name of N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride (CID 91642718) is N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccc2c(c1)CNC2.Cl.
What is the InChIKey of N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride?
The InChIKey is MLDKVKSVTFNGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S.ClH/c1-12(2)15(13,14)10-4-3-8-6-11-7-9(8)5-10;/h3-5,11H,6-7H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride?
N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride has a molecular weight of 262.76 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 91642718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).