N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide

C15H13N3O2S — CID 23740061

IUPACN-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H13N3O2S/c1-18(15-7-2-3-9-17-15)21(19,20)14-6-4-5-12-11-16-10-8-13(12)14/h2-11H,1H3
InChIKeyPFIAVHBBDDEVDL-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.45
Rot. Bonds3

About N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide

N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide (PubChem CID 23740061) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide
PubChem CID23740061
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H13N3O2S/c1-18(15-7-2-3-9-17-15)21(19,20)14-6-4-5-12-11-16-10-8-13(12)14/h2-11H,1H3
InChIKeyPFIAVHBBDDEVDL-UHFFFAOYSA-N
XLogP2.45
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide?
The IUPAC name of N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide (CID 23740061) is N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide?
The canonical SMILES for N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide is CN(c1ccccn1)S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide?
The InChIKey is PFIAVHBBDDEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-18(15-7-2-3-9-17-15)21(19,20)14-6-4-5-12-11-16-10-8-13(12)14/h2-11H,1H3.
What are the key properties of N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide?
N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide is sourced from PubChem (CID 23740061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).