N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

C19H19FN2O3S — CID 7384615

IUPACN-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3ccc(F)cc3)cc3c2N1CCC3
InChIInChI=1S/C19H19FN2O3S/c20-16-6-3-13(4-7-16)12-21-26(24,25)17-10-14-2-1-9-22-18(23)8-5-15(11-17)19(14)22/h3-4,6-7,10-11,21H,1-2,5,8-9,12H2
InChIKeyFKIRFPHAADSAJI-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.53
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (PubChem CID 7384615) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
PubChem CID7384615
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3ccc(F)cc3)cc3c2N1CCC3
InChIInChI=1S/C19H19FN2O3S/c20-16-6-3-13(4-7-16)12-21-26(24,25)17-10-14-2-1-9-22-18(23)8-5-15(11-17)19(14)22/h3-4,6-7,10-11,21H,1-2,5,8-9,12H2
InChIKeyFKIRFPHAADSAJI-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (CID 7384615) is N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCc3ccc(F)cc3)cc3c2N1CCC3.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The InChIKey is FKIRFPHAADSAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c20-16-6-3-13(4-7-16)12-21-26(24,25)17-10-14-2-1-9-22-18(23)8-5-15(11-17)19(14)22/h3-4,6-7,10-11,21H,1-2,5,8-9,12H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide has a molecular weight of 374.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is sourced from PubChem (CID 7384615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).