2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide

C19H20FN3O6S — CID 162370682

IUPAC2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide
SMILESCCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2c(c1)CN1CC(=O)OC[C@H]1CO2
InChIInChI=1S/C19H20FN3O6S/c1-2-27-16-4-3-13(20)6-17(16)30(25,26)22-14-5-12-8-23-9-18(24)28-10-15(23)11-29-19(12)21-7-14/h3-7,15,22H,2,8-11H2,1H3/t15-/m0/s1
InChIKeyIOQSSFLGLLVMPI-HNNXBMFYSA-N
MW437.45 g/mol
LogP1.54
Rot. Bonds5

About 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide

2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide (PubChem CID 162370682) has the molecular formula C19H20FN3O6S and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide
PubChem CID162370682
Molecular FormulaC19H20FN3O6S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide
SMILESCCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2c(c1)CN1CC(=O)OC[C@H]1CO2
InChIInChI=1S/C19H20FN3O6S/c1-2-27-16-4-3-13(20)6-17(16)30(25,26)22-14-5-12-8-23-9-18(24)28-10-15(23)11-29-19(12)21-7-14/h3-7,15,22H,2,8-11H2,1H3/t15-/m0/s1
InChIKeyIOQSSFLGLLVMPI-HNNXBMFYSA-N
XLogP1.54
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide?
The IUPAC name of 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide (CID 162370682) is 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide is CCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2c(c1)CN1CC(=O)OC[C@H]1CO2.
What is the InChIKey of 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide?
The InChIKey is IOQSSFLGLLVMPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FN3O6S/c1-2-27-16-4-3-13(20)6-17(16)30(25,26)22-14-5-12-8-23-9-18(24)28-10-15(23)11-29-19(12)21-7-14/h3-7,15,22H,2,8-11H2,1H3/t15-/m0/s1.
What are the key properties of 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide?
2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide has a molecular weight of 437.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-fluoro-N-[(11R)-14-oxo-9,13-dioxa-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-5-yl]benzenesulfonamide is sourced from PubChem (CID 162370682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).