N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide

C10H14N2O2S — CID 54593308

IUPACN,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C10H14N2O2S/c1-12(2)15(13,14)10-4-3-8-6-11-7-9(8)5-10/h3-5,11H,6-7H2,1-2H3
InChIKeyMQJABNPBKCFCGT-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.54
Rot. Bonds2

About N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide

N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 54593308) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID54593308
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C10H14N2O2S/c1-12(2)15(13,14)10-4-3-8-6-11-7-9(8)5-10/h3-5,11H,6-7H2,1-2H3
InChIKeyMQJABNPBKCFCGT-UHFFFAOYSA-N
XLogP0.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 54593308) is N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is MQJABNPBKCFCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-12(2)15(13,14)10-4-3-8-6-11-7-9(8)5-10/h3-5,11H,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 54593308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).