2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide

C24H18N2O4S — CID 6496803

IUPAC2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13
InChIInChI=1S/C24H18N2O4S/c1-14-7-3-6-10-20(14)31(29,30)25-18-11-12-19-22-17(13-21(27)26(19)2)15-8-4-5-9-16(15)24(28)23(18)22/h3-13,25H,1-2H3
InChIKeyWCJGRXPTJBOBLZ-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.86
Rot. Bonds3

About 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide

2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide (PubChem CID 6496803) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide
PubChem CID6496803
Molecular FormulaC24H18N2O4S
Molecular Weight430.49 g/mol
Exact Mass430.10
IUPAC Name2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13
InChIInChI=1S/C24H18N2O4S/c1-14-7-3-6-10-20(14)31(29,30)25-18-11-12-19-22-17(13-21(27)26(19)2)15-8-4-5-9-16(15)24(28)23(18)22/h3-13,25H,1-2H3
InChIKeyWCJGRXPTJBOBLZ-UHFFFAOYSA-N
XLogP3.86
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide (CID 6496803) is 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13.
What is the InChIKey of 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide?
The InChIKey is WCJGRXPTJBOBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S/c1-14-7-3-6-10-20(14)31(29,30)25-18-11-12-19-22-17(13-21(27)26(19)2)15-8-4-5-9-16(15)24(28)23(18)22/h3-13,25H,1-2H3.
What are the key properties of 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide?
2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide has a molecular weight of 430.49 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)benzenesulfonamide is sourced from PubChem (CID 6496803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).