4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide

C19H14N2O4S — CID 131980133

IUPAC4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide
SMILESCc1ccc2c3c(cccc13)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C19H14N2O4S/c1-11-5-10-16-17-14(11)3-2-4-15(17)18(22)21(19(16)23)12-6-8-13(9-7-12)26(20,24)25/h2-10H,1H3,(H2,20,24,25)
InChIKeyCHMWBTKVCMSRGF-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.60
Rot. Bonds2

About 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide

4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide (PubChem CID 131980133) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide
PubChem CID131980133
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide
SMILESCc1ccc2c3c(cccc13)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C19H14N2O4S/c1-11-5-10-16-17-14(11)3-2-4-15(17)18(22)21(19(16)23)12-6-8-13(9-7-12)26(20,24)25/h2-10H,1H3,(H2,20,24,25)
InChIKeyCHMWBTKVCMSRGF-UHFFFAOYSA-N
XLogP2.60
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide (CID 131980133) is 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide is Cc1ccc2c3c(cccc13)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O.
What is the InChIKey of 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide?
The InChIKey is CHMWBTKVCMSRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-11-5-10-16-17-14(11)3-2-4-15(17)18(22)21(19(16)23)12-6-8-13(9-7-12)26(20,24)25/h2-10H,1H3,(H2,20,24,25).
What are the key properties of 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide?
4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide has a molecular weight of 366.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide is sourced from PubChem (CID 131980133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).