N,N-dimethylisoquinoline-5-sulfonamide

C11H12N2O2S — CID 13135518

IUPACN,N-dimethylisoquinoline-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3
InChIKeyMRHJXMWWAQWJDD-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.49
Rot. Bonds2

About N,N-dimethylisoquinoline-5-sulfonamide

N,N-dimethylisoquinoline-5-sulfonamide (PubChem CID 13135518) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N,N-dimethylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylisoquinoline-5-sulfonamide
PubChem CID13135518
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN,N-dimethylisoquinoline-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3
InChIKeyMRHJXMWWAQWJDD-UHFFFAOYSA-N
XLogP1.49
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylisoquinoline-5-sulfonamide?
The IUPAC name of N,N-dimethylisoquinoline-5-sulfonamide (CID 13135518) is N,N-dimethylisoquinoline-5-sulfonamide.
What is the SMILES notation for N,N-dimethylisoquinoline-5-sulfonamide?
The canonical SMILES for N,N-dimethylisoquinoline-5-sulfonamide is CN(C)S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N,N-dimethylisoquinoline-5-sulfonamide?
The InChIKey is MRHJXMWWAQWJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3.
What are the key properties of N,N-dimethylisoquinoline-5-sulfonamide?
N,N-dimethylisoquinoline-5-sulfonamide has a molecular weight of 236.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylisoquinoline-5-sulfonamide is sourced from PubChem (CID 13135518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).