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

C12H18N2O4S2 — CID 107422271

IUPACN-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C12H18N2O4S2/c1-14(5-6-19(2,15)16)20(17,18)12-4-3-10-8-13-9-11(10)7-12/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyFPMQFEWNVDVGKS-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.05
Rot. Bonds5

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

N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422271) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422271
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C12H18N2O4S2/c1-14(5-6-19(2,15)16)20(17,18)12-4-3-10-8-13-9-11(10)7-12/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyFPMQFEWNVDVGKS-UHFFFAOYSA-N
XLogP-0.05
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421942
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421853
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422373
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421858
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
4-cyano-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106833221
N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422322

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422271) is N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is FPMQFEWNVDVGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-14(5-6-19(2,15)16)20(17,18)12-4-3-10-8-13-9-11(10)7-12/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).