N-methylisoquinoline-5-sulfonamide

C10H10N2O2S — CID 13135510

IUPACN-methylisoquinoline-5-sulfonamide
SMILESCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3
InChIKeyNZGWDNMCXFHPJD-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.14
Rot. Bonds2

About N-methylisoquinoline-5-sulfonamide

N-methylisoquinoline-5-sulfonamide (PubChem CID 13135510) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is N-methylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-methylisoquinoline-5-sulfonamide
PubChem CID13135510
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC NameN-methylisoquinoline-5-sulfonamide
SMILESCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3
InChIKeyNZGWDNMCXFHPJD-UHFFFAOYSA-N
XLogP1.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylisoquinoline-5-sulfonamide?
The IUPAC name of N-methylisoquinoline-5-sulfonamide (CID 13135510) is N-methylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-methylisoquinoline-5-sulfonamide?
The canonical SMILES for N-methylisoquinoline-5-sulfonamide is CNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-methylisoquinoline-5-sulfonamide?
The InChIKey is NZGWDNMCXFHPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3.
What are the key properties of N-methylisoquinoline-5-sulfonamide?
N-methylisoquinoline-5-sulfonamide has a molecular weight of 222.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylisoquinoline-5-sulfonamide is sourced from PubChem (CID 13135510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).