N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C15H18N2O3S — CID 107421940

IUPACN-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H18N2O3S/c1-2-17(11-14-4-3-7-20-14)21(18,19)15-6-5-12-9-16-10-13(12)8-15/h3-8,16H,2,9-11H2,1H3
InChIKeyHDRSEKZTGHVZQX-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.09
Rot. Bonds5

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

N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421940) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421940
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H18N2O3S/c1-2-17(11-14-4-3-7-20-14)21(18,19)15-6-5-12-9-16-10-13(12)8-15/h3-8,16H,2,9-11H2,1H3
InChIKeyHDRSEKZTGHVZQX-UHFFFAOYSA-N
XLogP2.09
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422373
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606165
4-[bis(furan-2-ylmethyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 55511028
N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421858
N,N-bis(furan-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 32945228
N-(furan-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43527164
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 30660804
4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421940) is N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is HDRSEKZTGHVZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-17(11-14-4-3-7-20-14)21(18,19)15-6-5-12-9-16-10-13(12)8-15/h3-8,16H,2,9-11H2,1H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).