N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide

C16H14N2O4S — CID 100820451

IUPACN-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H14N2O4S/c1-2-18(11-6-4-3-5-7-11)23(21,22)12-8-9-13-14(10-12)16(20)17-15(13)19/h3-10H,2H2,1H3,(H,17,19,20)
InChIKeyNHIBALBYWNSQNN-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.79
Rot. Bonds4

About N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide

N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide (PubChem CID 100820451) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
PubChem CID100820451
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H14N2O4S/c1-2-18(11-6-4-3-5-7-11)23(21,22)12-8-9-13-14(10-12)16(20)17-15(13)19/h3-10H,2H2,1H3,(H,17,19,20)
InChIKeyNHIBALBYWNSQNN-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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

N-benzyl-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56587385
N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 56586657
N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
CID 110760013
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 829830
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
CID 30713094
2-[(1,3-dioxoisoindol-5-yl)sulfonyl-methylamino]benzoic acid
CID 100820388
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
The IUPAC name of N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide (CID 100820451) is N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide.
What is the SMILES notation for N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
The canonical SMILES for N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
The InChIKey is NHIBALBYWNSQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-2-18(11-6-4-3-5-7-11)23(21,22)12-8-9-13-14(10-12)16(20)17-15(13)19/h3-10H,2H2,1H3,(H,17,19,20).
What are the key properties of N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide is sourced from PubChem (CID 100820451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).