2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide

C20H22N2O3S — CID 7527016

IUPAC2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-6-14(2)18(10-13)26(24,25)21-17-11-15-4-3-9-22-19(23)8-7-16(12-17)20(15)22/h5-6,10-12,21H,3-4,7-9H2,1-2H3
InChIKeyNLTOWCPOANKWPR-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.33
Rot. Bonds3

About 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide

2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide (PubChem CID 7527016) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide
PubChem CID7527016
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-6-14(2)18(10-13)26(24,25)21-17-11-15-4-3-9-22-19(23)8-7-16(12-17)20(15)22/h5-6,10-12,21H,3-4,7-9H2,1-2H3
InChIKeyNLTOWCPOANKWPR-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide (CID 7527016) is 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide?
The InChIKey is NLTOWCPOANKWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-5-6-14(2)18(10-13)26(24,25)21-17-11-15-4-3-9-22-19(23)8-7-16(12-17)20(15)22/h5-6,10-12,21H,3-4,7-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide?
2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide is sourced from PubChem (CID 7527016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).