4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide

C22H18N2O2S — CID 122195268

IUPAC4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3ccncc23)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-7-9-18(10-8-16)27(25,26)24-22-12-11-19(17-5-3-2-4-6-17)20-13-14-23-15-21(20)22/h2-15,24H,1H3
InChIKeyPMHZXVBYNJXUAA-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.01
Rot. Bonds4

About 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide

4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide (PubChem CID 122195268) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide
PubChem CID122195268
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3ccncc23)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-7-9-18(10-8-16)27(25,26)24-22-12-11-19(17-5-3-2-4-6-17)20-13-14-23-15-21(20)22/h2-15,24H,1H3
InChIKeyPMHZXVBYNJXUAA-UHFFFAOYSA-N
XLogP5.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide (CID 122195268) is 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3ccncc23)cc1.
What is the InChIKey of 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide?
The InChIKey is PMHZXVBYNJXUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-16-7-9-18(10-8-16)27(25,26)24-22-12-11-19(17-5-3-2-4-6-17)20-13-14-23-15-21(20)22/h2-15,24H,1H3.
What are the key properties of 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide?
4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-phenylisoquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 122195268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).