2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

C17H24N2O3S — CID 7384609

IUPAC2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C17H24N2O3S/c1-2-3-4-9-18-23(21,22)15-11-13-6-5-10-19-16(20)8-7-14(12-15)17(13)19/h11-12,18H,2-10H2,1H3
InChIKeyPIUTYFZNDBJFSH-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.38
Rot. Bonds6

About 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (PubChem CID 7384609) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
PubChem CID7384609
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C17H24N2O3S/c1-2-3-4-9-18-23(21,22)15-11-13-6-5-10-19-16(20)8-7-14(12-15)17(13)19/h11-12,18H,2-10H2,1H3
InChIKeyPIUTYFZNDBJFSH-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The IUPAC name of 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (CID 7384609) is 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
What is the SMILES notation for 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The canonical SMILES for 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is CCCCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2.
What is the InChIKey of 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The InChIKey is PIUTYFZNDBJFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-3-4-9-18-23(21,22)15-11-13-6-5-10-19-16(20)8-7-14(12-15)17(13)19/h11-12,18H,2-10H2,1H3.
What are the key properties of 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pentyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is sourced from PubChem (CID 7384609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).