N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide

C16H14N2O4S — CID 51702772

IUPACN,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
SMILESCN1C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2C1=O
InChIInChI=1S/C16H14N2O4S/c1-17-15(19)13-9-8-12(10-14(13)16(17)20)23(21,22)18(2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyHAHMVRUOFNEFHO-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.74
Rot. Bonds3

About N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide

N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide (PubChem CID 51702772) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
PubChem CID51702772
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
SMILESCN1C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2C1=O
InChIInChI=1S/C16H14N2O4S/c1-17-15(19)13-9-8-12(10-14(13)16(17)20)23(21,22)18(2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyHAHMVRUOFNEFHO-UHFFFAOYSA-N
XLogP1.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 51702797
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 31508567
N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 120664335
N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 42648434
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238936
5-amino-N-methyl-N-phenylpyridine-3-sulfonamide
CID 82222998
N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 110760432
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
N-[1-(2-bromophenyl)ethyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-sulfonamide
CID 60539947
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
The IUPAC name of N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide (CID 51702772) is N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide.
What is the SMILES notation for N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
The canonical SMILES for N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide is CN1C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2C1=O.
What is the InChIKey of N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
The InChIKey is HAHMVRUOFNEFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-17-15(19)13-9-8-12(10-14(13)16(17)20)23(21,22)18(2)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide is sourced from PubChem (CID 51702772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).