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

C13H17ClN4O2S — CID 120724092

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c1
InChIInChI=1S/C13H16N4O2S.ClH/c1-17-8-13(15-9-17)20(18,19)16-5-10-2-3-11-6-14-7-12(11)4-10;/h2-4,8-9,14,16H,5-7H2,1H3;1H
InChIKeyUICTWAXSSDVVMS-UHFFFAOYSA-N
MW328.83 g/mol
LogP0.92
Rot. Bonds4

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

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride (PubChem CID 120724092) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride
PubChem CID120724092
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c1
InChIInChI=1S/C13H16N4O2S.ClH/c1-17-8-13(15-9-17)20(18,19)16-5-10-2-3-11-6-14-7-12(11)4-10;/h2-4,8-9,14,16H,5-7H2,1H3;1H
InChIKeyUICTWAXSSDVVMS-UHFFFAOYSA-N
XLogP0.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride (CID 120724092) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride is Cl.Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride?
The InChIKey is UICTWAXSSDVVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S.ClH/c1-17-8-13(15-9-17)20(18,19)16-5-10-2-3-11-6-14-7-12(11)4-10;/h2-4,8-9,14,16H,5-7H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride has a molecular weight of 328.83 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120724092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).