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

C19H20ClN5O4S — CID 142390232

IUPAC5-chloro-2-methoxy-N-(5-propan-2-yl-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(C)C)n1CCO2
InChIInChI=1S/C19H20ClN5O4S/c1-11(2)17-22-23-18-14-9-13(10-21-19(14)29-7-6-25(17)18)24-30(26,27)16-8-12(20)4-5-15(16)28-3/h4-5,8-11,24H,6-7H2,1-3H3
InChIKeyBZKLDTGNKSEHRH-UHFFFAOYSA-N
MW449.92 g/mol
LogP3.32
Rot. Bonds5

About 5-chloro-2-methoxy-N-(5-propan-2-yl-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-propan-2-yl-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 142390232) has the molecular formula C19H20ClN5O4S and a molecular weight of 449.92 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(5-propan-2-yl-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-propan-2-yl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide
PubChem CID142390232
Molecular FormulaC19H20ClN5O4S
Molecular Weight449.92 g/mol
Exact Mass449.09
IUPAC Name5-chloro-2-methoxy-N-(5-propan-2-yl-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(C)C)n1CCO2
InChIInChI=1S/C19H20ClN5O4S/c1-11(2)17-22-23-18-14-9-13(10-21-19(14)29-7-6-25(17)18)24-30(26,27)16-8-12(20)4-5-15(16)28-3/h4-5,8-11,24H,6-7H2,1-3H3
InChIKeyBZKLDTGNKSEHRH-UHFFFAOYSA-N
XLogP3.32
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-2-methoxy-N-(5-propan-2-yl-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(5-propan-2-yl-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-propan-2-yl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide (CID 142390232) is 5-chloro-2-methoxy-N-(5-propan-2-yl-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-propan-2-yl-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-propan-2-yl-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(C)C)n1CCO2.
What is the InChIKey of 5-chloro-2-methoxy-N-(5-propan-2-yl-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 BZKLDTGNKSEHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O4S/c1-11(2)17-22-23-18-14-9-13(10-21-19(14)29-7-6-25(17)18)24-30(26,27)16-8-12(20)4-5-15(16)28-3/h4-5,8-11,24H,6-7H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N-(5-propan-2-yl-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-propan-2-yl-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 449.92 g/mol, XLogP of 3.32, 5 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-propan-2-yl-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 142390232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).