N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide

C16H14N2O4S — CID 51702797

IUPACN-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCN1C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2C1=O
InChIInChI=1S/C16H14N2O4S/c1-18-15(19)13-8-7-12(9-14(13)16(18)20)23(21,22)17-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3
InChIKeyRTBLHVREPOTERN-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.39
Rot. Bonds4

About N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide

N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 51702797) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
PubChem CID51702797
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCN1C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2C1=O
InChIInChI=1S/C16H14N2O4S/c1-18-15(19)13-8-7-12(9-14(13)16(18)20)23(21,22)17-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3
InChIKeyRTBLHVREPOTERN-UHFFFAOYSA-N
XLogP1.39
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
CID 1102995
1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide
CID 56586873
4-methyl-2-[[(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 120660441
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
bis(N-benzyl-3,3-dichloro-1-methyl-2-oxoindole-5-sulfonamide);3,3-dichloro-1-methyl-2-oxoindole-5-sulfonyl chloride
CID 158307251
2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride
CID 119977325
(2R)-3-methyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylamino]butanoic acid
CID 51702634
4-amino-N-benzyl-3-bromobenzenesulfonamide
CID 62058559
N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 120664335
N-benzyl-5-ethyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173610
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
N-benzyl-4-methoxybenzenesulfonamide
CID 741351

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide (CID 51702797) is N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide is CN1C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2C1=O.
What is the InChIKey of N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is RTBLHVREPOTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-18-15(19)13-8-7-12(9-14(13)16(18)20)23(21,22)17-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3.
What are the key properties of N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 51702797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).