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

C14H16N2O3S — CID 107421942

IUPACN-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H16N2O3S/c1-16(9-11-4-5-19-10-11)20(17,18)14-3-2-12-7-15-8-13(12)6-14/h2-6,10,15H,7-9H2,1H3
InChIKeyVQSFYJVOURLLCW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.70
Rot. Bonds4

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

N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421942) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421942
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H16N2O3S/c1-16(9-11-4-5-19-10-11)20(17,18)14-3-2-12-7-15-8-13(12)6-14/h2-6,10,15H,7-9H2,1H3
InChIKeyVQSFYJVOURLLCW-UHFFFAOYSA-N
XLogP1.70
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110868966
3-amino-4-fluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61422118
N-(furan-3-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 61422679
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61422202
2-fluoro-5-[furan-3-ylmethyl(methyl)sulfamoyl]benzenecarbothioamide
CID 63289008
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421940
N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421853
N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421858

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421942) is N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide is CN(Cc1ccoc1)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is VQSFYJVOURLLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16(9-11-4-5-19-10-11)20(17,18)14-3-2-12-7-15-8-13(12)6-14/h2-6,10,15H,7-9H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).