N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide

C22H18N2O5S — CID 1298364

IUPACN-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H18N2O5S/c1-29-20-12-11-16(23-30(27,28)17-7-3-2-4-8-17)13-15(20)14-24-21(25)18-9-5-6-10-19(18)22(24)26/h2-13,23H,14H2,1H3
InChIKeyZYKDFLVHFKTZGA-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.29
Rot. Bonds6

About N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide

N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide (PubChem CID 1298364) has the molecular formula C22H18N2O5S and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide
PubChem CID1298364
Molecular FormulaC22H18N2O5S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC NameN-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H18N2O5S/c1-29-20-12-11-16(23-30(27,28)17-7-3-2-4-8-17)13-15(20)14-24-21(25)18-9-5-6-10-19(18)22(24)26/h2-13,23H,14H2,1H3
InChIKeyZYKDFLVHFKTZGA-UHFFFAOYSA-N
XLogP3.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.29
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

N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439
N-(3-chloro-4-methoxyphenyl)-4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]benzenesulfonamide
CID 20914323
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
CID 71390494
1,4-bis(bromomethyl)-2,5-dimethoxybenzene;2-[[4-(bromomethyl)-2,5-dimethoxyphenyl]methyl]isoindole-1,3-dione
CID 160888133
N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 17016382
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
CID 112983555
2-[(2-bromo-3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
CID 47061601
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
CID 110352274
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide (CID 1298364) is N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2)cc1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide?
The InChIKey is ZYKDFLVHFKTZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5S/c1-29-20-12-11-16(23-30(27,28)17-7-3-2-4-8-17)13-15(20)14-24-21(25)18-9-5-6-10-19(18)22(24)26/h2-13,23H,14H2,1H3.
What are the key properties of N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide?
N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide has a molecular weight of 422.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]benzenesulfonamide is sourced from PubChem (CID 1298364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).