2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide

C16H21N3O4S — CID 119976743

IUPAC2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H21N3O4S/c1-3-8-19(11-6-7-17-10-11)24(22,23)12-4-5-13-14(9-12)16(21)18(2)15(13)20/h4-5,9,11,17H,3,6-8,10H2,1-2H3
InChIKeyXRLMZVYWEQLVSR-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.68
Rot. Bonds5

About 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide

2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide (PubChem CID 119976743) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide
PubChem CID119976743
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H21N3O4S/c1-3-8-19(11-6-7-17-10-11)24(22,23)12-4-5-13-14(9-12)16(21)18(2)15(13)20/h4-5,9,11,17H,3,6-8,10H2,1-2H3
InChIKeyXRLMZVYWEQLVSR-UHFFFAOYSA-N
XLogP0.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.68
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

1-methyl-N-propyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 62062782
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119976551
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide
CID 119976329
2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976755
1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 126766175
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide?
The IUPAC name of 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide (CID 119976743) is 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide.
What is the SMILES notation for 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide?
The canonical SMILES for 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide is CCCN(C1CCNC1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide?
The InChIKey is XRLMZVYWEQLVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-3-8-19(11-6-7-17-10-11)24(22,23)12-4-5-13-14(9-12)16(21)18(2)15(13)20/h4-5,9,11,17H,3,6-8,10H2,1-2H3.
What are the key properties of 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide?
2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide is sourced from PubChem (CID 119976743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).