N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide

C21H16N2O4S — CID 110352351

IUPACN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H16N2O4S/c24-20-18-8-4-5-9-19(18)21(25)23(20)17-12-10-16(11-13-17)22-28(26,27)14-15-6-2-1-3-7-15/h1-13,22H,14H2
InChIKeyQQQCKCMHNBGLRS-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.43
Rot. Bonds5

About N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide

N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 110352351) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide
PubChem CID110352351
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H16N2O4S/c24-20-18-8-4-5-9-19(18)21(25)23(20)17-12-10-16(11-13-17)22-28(26,27)14-15-6-2-1-3-7-15/h1-13,22H,14H2
InChIKeyQQQCKCMHNBGLRS-UHFFFAOYSA-N
XLogP3.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.43
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-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 110352354
N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide
CID 35521142
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide
CID 43104761
1-benzyl-3-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]urea
CID 66491140
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
CID 130247707
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
CID 110352271
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide
CID 27210910

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide (CID 110352351) is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide is O=C1c2ccccc2C(=O)N1c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is QQQCKCMHNBGLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c24-20-18-8-4-5-9-19(18)21(25)23(20)17-12-10-16(11-13-17)22-28(26,27)14-15-6-2-1-3-7-15/h1-13,22H,14H2.
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide?
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110352351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).