4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide

C25H22N2O5S — CID 108781699

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
SMILESCc1ccc2c(c1)C(NS(=O)(=O)c1ccc(CN3C(=O)c4ccccc4C3=O)cc1)CCO2
InChIInChI=1S/C25H22N2O5S/c1-16-6-11-23-21(14-16)22(12-13-32-23)26-33(30,31)18-9-7-17(8-10-18)15-27-24(28)19-4-2-3-5-20(19)25(27)29/h2-11,14,22,26H,12-13,15H2,1H3
InChIKeyDQKSRWLUKPPGHT-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.59
Rot. Bonds5

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide (PubChem CID 108781699) has the molecular formula C25H22N2O5S and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
PubChem CID108781699
Molecular FormulaC25H22N2O5S
Molecular Weight462.53 g/mol
Exact Mass462.12
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
SMILESCc1ccc2c(c1)C(NS(=O)(=O)c1ccc(CN3C(=O)c4ccccc4C3=O)cc1)CCO2
InChIInChI=1S/C25H22N2O5S/c1-16-6-11-23-21(14-16)22(12-13-32-23)26-33(30,31)18-9-7-17(8-10-18)15-27-24(28)19-4-2-3-5-20(19)25(27)29/h2-11,14,22,26H,12-13,15H2,1H3
InChIKeyDQKSRWLUKPPGHT-UHFFFAOYSA-N
XLogP3.59
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.59
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-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
CID 108781652
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
CID 108783097
N-[4-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)sulfamoyl]phenyl]acetamide
CID 108781692
2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
CID 108781694
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide
CID 108757452
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20914313
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 110751334
2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid
CID 19840494
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
CID 34042955

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide (CID 108781699) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide is Cc1ccc2c(c1)C(NS(=O)(=O)c1ccc(CN3C(=O)c4ccccc4C3=O)cc1)CCO2.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
The InChIKey is DQKSRWLUKPPGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5S/c1-16-6-11-23-21(14-16)22(12-13-32-23)26-33(30,31)18-9-7-17(8-10-18)15-27-24(28)19-4-2-3-5-20(19)25(27)29/h2-11,14,22,26H,12-13,15H2,1H3.
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide has a molecular weight of 462.53 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide is sourced from PubChem (CID 108781699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).