6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C11H15BrN2O2S — CID 86819533

IUPAC6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H15BrN2O2S/c1-13(2)17(15,16)14-6-5-9-7-11(12)4-3-10(9)8-14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyIQPRSIQTAZPMLU-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.61
Rot. Bonds2

About 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 86819533) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID86819533
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H15BrN2O2S/c1-13(2)17(15,16)14-6-5-9-7-11(12)4-3-10(9)8-14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyIQPRSIQTAZPMLU-UHFFFAOYSA-N
XLogP1.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 86819533) is 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CN(C)S(=O)(=O)N1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is IQPRSIQTAZPMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-13(2)17(15,16)14-6-5-9-7-11(12)4-3-10(9)8-14/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 319.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 86819533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).