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

C18H17ClFN3O5S — CID 146444090

IUPAC5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)C(=O)N1C[C@@H](F)C[C@@H]1CO2
InChIInChI=1S/C18H17ClFN3O5S/c1-27-15-3-2-10(19)4-16(15)29(25,26)22-12-6-14-17(21-7-12)28-9-13-5-11(20)8-23(13)18(14)24/h2-4,6-7,11,13,22H,5,8-9H2,1H3/t11-,13+/m0/s1
InChIKeyBESIKZGWDMXHSW-WCQYABFASA-N
MW441.87 g/mol
LogP2.49
Rot. Bonds4

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

5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide (PubChem CID 146444090) has the molecular formula C18H17ClFN3O5S and a molecular weight of 441.87 g/mol. Its IUPAC name is 5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide
PubChem CID146444090
Molecular FormulaC18H17ClFN3O5S
Molecular Weight441.87 g/mol
Exact Mass441.06
IUPAC Name5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)C(=O)N1C[C@@H](F)C[C@@H]1CO2
InChIInChI=1S/C18H17ClFN3O5S/c1-27-15-3-2-10(19)4-16(15)29(25,26)22-12-6-14-17(21-7-12)28-9-13-5-11(20)8-23(13)18(14)24/h2-4,6-7,11,13,22H,5,8-9H2,1H3/t11-,13+/m0/s1
InChIKeyBESIKZGWDMXHSW-WCQYABFASA-N
XLogP2.49
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide 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-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide (CID 146444090) is 5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)C(=O)N1C[C@@H](F)C[C@@H]1CO2.
What is the InChIKey of 5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide?
The InChIKey is BESIKZGWDMXHSW-WCQYABFASA-N. The full InChI is InChI=1S/C18H17ClFN3O5S/c1-27-15-3-2-10(19)4-16(15)29(25,26)22-12-6-14-17(21-7-12)28-9-13-5-11(20)8-23(13)18(14)24/h2-4,6-7,11,13,22H,5,8-9H2,1H3/t11-,13+/m0/s1.
What are the key properties of 5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide?
5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide has a molecular weight of 441.87 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5S,7R)-5-fluoro-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 146444090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).