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

C25H22N2O5S — CID 108781652

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(S(=O)(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C25H22N2O5S/c28-24-19-5-1-2-6-20(19)25(29)27(24)15-13-17-9-11-18(12-10-17)33(30,31)26-22-14-16-32-23-8-4-3-7-21(22)23/h1-12,22,26H,13-16H2
InChIKeySIFKGZHQZDPLGP-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.33
Rot. Bonds6

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

N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide (PubChem CID 108781652) has the molecular formula C25H22N2O5S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
PubChem CID108781652
Molecular FormulaC25H22N2O5S
Molecular Weight462.53 g/mol
Exact Mass462.12
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(S(=O)(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C25H22N2O5S/c28-24-19-5-1-2-6-20(19)25(29)27(24)15-13-17-9-11-18(12-10-17)33(30,31)26-22-14-16-32-23-8-4-3-7-21(22)23/h1-12,22,26H,13-16H2
InChIKeySIFKGZHQZDPLGP-UHFFFAOYSA-N
XLogP3.33
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.33
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

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
CID 108781699
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 18096764
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 33346649
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
CID 33038573
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide
CID 110311233
N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 126768267
5-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methyltriazole-4-sulfonamide
CID 106467586
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
CID 34042955
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9245623
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydronaphthalene-2-sulfonamide
CID 18194280

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide (CID 108781652) is N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide is O=C1c2ccccc2C(=O)N1CCc1ccc(S(=O)(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SIFKGZHQZDPLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5S/c28-24-19-5-1-2-6-20(19)25(29)27(24)15-13-17-9-11-18(12-10-17)33(30,31)26-22-14-16-32-23-8-4-3-7-21(22)23/h1-12,22,26H,13-16H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 462.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 108781652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).