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

C21H22N2O4S — CID 110311233

IUPACN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(NS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C21H22N2O4S/c24-20-18-7-3-4-8-19(18)21(25)23(20)14-13-15-9-11-16(12-10-15)22-28(26,27)17-5-1-2-6-17/h3-4,7-12,17,22H,1-2,5-6,13-14H2
InChIKeyJPIICJHVCHLDTA-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.21
Rot. Bonds6

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

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide (PubChem CID 110311233) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide
PubChem CID110311233
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(NS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C21H22N2O4S/c24-20-18-7-3-4-8-19(18)21(25)23(20)14-13-15-9-11-16(12-10-15)22-28(26,27)17-5-1-2-6-17/h3-4,7-12,17,22H,1-2,5-6,13-14H2
InChIKeyJPIICJHVCHLDTA-UHFFFAOYSA-N
XLogP3.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.21
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-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione
CID 110632884
3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid
CID 105360943
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide
CID 110632886
2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione
CID 19817535
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide
CID 106911163
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 23005465
N-[4-(methylamino)phenyl]cyclohexanesulfonamide
CID 61064598
N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
CID 108781652

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide (CID 110311233) is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide is O=C1c2ccccc2C(=O)N1CCc1ccc(NS(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide?
The InChIKey is JPIICJHVCHLDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-20-18-7-3-4-8-19(18)21(25)23(20)14-13-15-9-11-16(12-10-15)22-28(26,27)17-5-1-2-6-17/h3-4,7-12,17,22H,1-2,5-6,13-14H2.
What are the key properties of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide?
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 110311233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).