N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H16N2O3S — CID 107421881

IUPACN-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CNC2)c1ccco1
InChIInChI=1S/C14H16N2O3S/c1-10(14-3-2-6-19-14)16-20(17,18)13-5-4-11-8-15-9-12(11)7-13/h2-7,10,15-16H,8-9H2,1H3
InChIKeyCPHCEDPMUADNID-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.92
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421881) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421881
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CNC2)c1ccco1
InChIInChI=1S/C14H16N2O3S/c1-10(14-3-2-6-19-14)16-20(17,18)13-5-4-11-8-15-9-12(11)7-13/h2-7,10,15-16H,8-9H2,1H3
InChIKeyCPHCEDPMUADNID-UHFFFAOYSA-N
XLogP1.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 43535866
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711
N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422097
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421973
4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 107858812
N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62147836

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421881) is N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)CNC2)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is CPHCEDPMUADNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10(14-3-2-6-19-14)16-20(17,18)13-5-4-11-8-15-9-12(11)7-13/h2-7,10,15-16H,8-9H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).