2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride

C14H18ClN3O4S — CID 119970068

IUPAC2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl
InChIInChI=1S/C14H17N3O4S.ClH/c1-9-8-15-5-6-17(9)22(20,21)10-3-4-11-12(7-10)14(19)16(2)13(11)18;/h3-4,7,9,15H,5-6,8H2,1-2H3;1H
InChIKeyCILDHUODDOFSKH-UHFFFAOYSA-N
MW359.84 g/mol
LogP0.32
Rot. Bonds2

About 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride

2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride (PubChem CID 119970068) has the molecular formula C14H18ClN3O4S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride
PubChem CID119970068
Molecular FormulaC14H18ClN3O4S
Molecular Weight359.84 g/mol
Exact Mass359.07
IUPAC Name2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl
InChIInChI=1S/C14H17N3O4S.ClH/c1-9-8-15-5-6-17(9)22(20,21)10-3-4-11-12(7-10)14(19)16(2)13(11)18;/h3-4,7,9,15H,5-6,8H2,1-2H3;1H
InChIKeyCILDHUODDOFSKH-UHFFFAOYSA-N
XLogP0.32
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride
CID 119969942
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride (CID 119970068) is 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride is CC1CNCCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl.
What is the InChIKey of 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride?
The InChIKey is CILDHUODDOFSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S.ClH/c1-9-8-15-5-6-17(9)22(20,21)10-3-4-11-12(7-10)14(19)16(2)13(11)18;/h3-4,7,9,15H,5-6,8H2,1-2H3;1H.
What are the key properties of 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride?
2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride has a molecular weight of 359.84 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 119970068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).