5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide

C18H15ClF3N3O6S — CID 146444080

IUPAC5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1c2cc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cnc2OC[C@H]2C[C@H](O)CN12
InChIInChI=1S/C18H15ClF3N3O6S/c19-9-1-2-14(31-18(20,21)22)15(3-9)32(28,29)24-10-4-13-16(23-6-10)30-8-11-5-12(26)7-25(11)17(13)27/h1-4,6,11-12,24,26H,5,7-8H2/t11-,12+/m1/s1
InChIKeyCRHBYAWSYSIXAY-NEPJUHHUSA-N
MW493.85 g/mol
LogP2.40
Rot. Bonds4

About 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide

5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 146444080) has the molecular formula C18H15ClF3N3O6S and a molecular weight of 493.85 g/mol. Its IUPAC name is 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID146444080
Molecular FormulaC18H15ClF3N3O6S
Molecular Weight493.85 g/mol
Exact Mass493.03
IUPAC Name5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1c2cc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cnc2OC[C@H]2C[C@H](O)CN12
InChIInChI=1S/C18H15ClF3N3O6S/c19-9-1-2-14(31-18(20,21)22)15(3-9)32(28,29)24-10-4-13-16(23-6-10)30-8-11-5-12(26)7-25(11)17(13)27/h1-4,6,11-12,24,26H,5,7-8H2/t11-,12+/m1/s1
InChIKeyCRHBYAWSYSIXAY-NEPJUHHUSA-N
XLogP2.40
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.85
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide (CID 146444080) is 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide is O=C1c2cc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cnc2OC[C@H]2C[C@H](O)CN12.
What is the InChIKey of 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CRHBYAWSYSIXAY-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H15ClF3N3O6S/c19-9-1-2-14(31-18(20,21)22)15(3-9)32(28,29)24-10-4-13-16(23-6-10)30-8-11-5-12(26)7-25(11)17(13)27/h1-4,6,11-12,24,26H,5,7-8H2/t11-,12+/m1/s1.
What are the key properties of 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide?
5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 493.85 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 146444080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).