2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride

C15H20ClN3O4S — CID 119977325

IUPAC2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride
SMILESCN1C(=O)c2ccc(S(=O)(=O)NCCC3CCNC3)cc2C1=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-18-14(19)12-3-2-11(8-13(12)15(18)20)23(21,22)17-7-5-10-4-6-16-9-10;/h2-3,8,10,16-17H,4-7,9H2,1H3;1H
InChIKeyCNVYDVUSJDKAFV-UHFFFAOYSA-N
MW373.86 g/mol
LogP0.61
Rot. Bonds5

About 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride

2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride (PubChem CID 119977325) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride
PubChem CID119977325
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride
SMILESCN1C(=O)c2ccc(S(=O)(=O)NCCC3CCNC3)cc2C1=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-18-14(19)12-3-2-11(8-13(12)15(18)20)23(21,22)17-7-5-10-4-6-16-9-10;/h2-3,8,10,16-17H,4-7,9H2,1H3;1H
InChIKeyCNVYDVUSJDKAFV-UHFFFAOYSA-N
XLogP0.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977366
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
4-bromo-3-methyl-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98571467
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
3-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977436
3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977160
3-bromo-4-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977238
4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977232
3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119979260
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
3-bromo-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119976896
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride?
The IUPAC name of 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride (CID 119977325) is 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride is CN1C(=O)c2ccc(S(=O)(=O)NCCC3CCNC3)cc2C1=O.Cl.
What is the InChIKey of 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride?
The InChIKey is CNVYDVUSJDKAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S.ClH/c1-18-14(19)12-3-2-11(8-13(12)15(18)20)23(21,22)17-7-5-10-4-6-16-9-10;/h2-3,8,10,16-17H,4-7,9H2,1H3;1H.
What are the key properties of 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride?
2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119977325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).