N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

C19H16F4N2O3S — CID 16823325

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc3c2N1CCC3
InChIInChI=1S/C19H16F4N2O3S/c20-16-5-4-13(10-15(16)19(21,22)23)24-29(27,28)14-8-11-2-1-7-25-17(26)6-3-12(9-14)18(11)25/h4-5,8-10,24H,1-3,6-7H2
InChIKeyAKRLTUHLEQDXDP-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.87
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (PubChem CID 16823325) has the molecular formula C19H16F4N2O3S and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
PubChem CID16823325
Molecular FormulaC19H16F4N2O3S
Molecular Weight428.41 g/mol
Exact Mass428.08
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc3c2N1CCC3
InChIInChI=1S/C19H16F4N2O3S/c20-16-5-4-13(10-15(16)19(21,22)23)24-29(27,28)14-8-11-2-1-7-25-17(26)6-3-12(9-14)18(11)25/h4-5,8-10,24H,1-3,6-7H2
InChIKeyAKRLTUHLEQDXDP-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527133
N-(3-chloro-4-fluorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7287011
N-(3,5-dichlorophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527106
N-(4-bromo-2-fluorophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 16823326
N-[4-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)sulfonylamino]phenyl]acetamide
CID 7527140
2-oxo-N-(4-propan-2-ylphenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 22584686
N-(4-butylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527025
4-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide
CID 7527009
4-fluoro-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
CID 7526330
4-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonylamino]benzamide
CID 7526515
N-(4-ethoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7526394
N-(3-chloro-4-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7287022

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (CID 16823325) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-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-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc3c2N1CCC3.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The InChIKey is AKRLTUHLEQDXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O3S/c20-16-5-4-13(10-15(16)19(21,22)23)24-29(27,28)14-8-11-2-1-7-25-17(26)6-3-12(9-14)18(11)25/h4-5,8-10,24H,1-3,6-7H2.
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide has a molecular weight of 428.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is sourced from PubChem (CID 16823325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).