5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide

C17H16ClN5O4S — CID 135156474

IUPAC5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)-c1nnc(C)n1CCO2
InChIInChI=1S/C17H16ClN5O4S/c1-10-20-21-16-13-8-12(9-19-17(13)27-6-5-23(10)16)22-28(24,25)15-7-11(18)3-4-14(15)26-2/h3-4,7-9,22H,5-6H2,1-2H3
InChIKeyAEGHROUNPLWCFZ-UHFFFAOYSA-N
MW421.87 g/mol
LogP2.50
Rot. Bonds4

About 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide (PubChem CID 135156474) has the molecular formula C17H16ClN5O4S and a molecular weight of 421.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide
PubChem CID135156474
Molecular FormulaC17H16ClN5O4S
Molecular Weight421.87 g/mol
Exact Mass421.06
IUPAC Name5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)-c1nnc(C)n1CCO2
InChIInChI=1S/C17H16ClN5O4S/c1-10-20-21-16-13-8-12(9-19-17(13)27-6-5-23(10)16)22-28(24,25)15-7-11(18)3-4-14(15)26-2/h3-4,7-9,22H,5-6H2,1-2H3
InChIKeyAEGHROUNPLWCFZ-UHFFFAOYSA-N
XLogP2.50
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.87
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)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-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide (CID 135156474) is 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)-c1nnc(C)n1CCO2.
What is the InChIKey of 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide?
The InChIKey is AEGHROUNPLWCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O4S/c1-10-20-21-16-13-8-12(9-19-17(13)27-6-5-23(10)16)22-28(24,25)15-7-11(18)3-4-14(15)26-2/h3-4,7-9,22H,5-6H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide has a molecular weight of 421.87 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide is sourced from PubChem (CID 135156474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).