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

C17H15ClN4O4S — CID 135156286

IUPAC5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)-c1nccn1CCO2
InChIInChI=1S/C17H15ClN4O4S/c1-25-14-3-2-11(18)8-15(14)27(23,24)21-12-9-13-16-19-4-5-22(16)6-7-26-17(13)20-10-12/h2-5,8-10,21H,6-7H2,1H3
InChIKeyHZGWCLBRKXOUGK-UHFFFAOYSA-N
MW406.85 g/mol
LogP2.80
Rot. Bonds4

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

5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide (PubChem CID 135156286) has the molecular formula C17H15ClN4O4S and a molecular weight of 406.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide
PubChem CID135156286
Molecular FormulaC17H15ClN4O4S
Molecular Weight406.85 g/mol
Exact Mass406.05
IUPAC Name5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)-c1nccn1CCO2
InChIInChI=1S/C17H15ClN4O4S/c1-25-14-3-2-11(18)8-15(14)27(23,24)21-12-9-13-16-19-4-5-22(16)6-7-26-17(13)20-10-12/h2-5,8-10,21H,6-7H2,1H3
InChIKeyHZGWCLBRKXOUGK-UHFFFAOYSA-N
XLogP2.80
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

US10370333, Example XIII-8
CID 89768390
US10370333, Example III-93
CID 89768392
US11046710, Example 7
CID 135155961
US11046710, Example 1
CID 135156474
US11046710, Example 5
CID 142390232
US11046710, Example 17
CID 146444094
US11046710, Example 3
CID 146444102
US11046710, Example 16
CID 146444116
US11046710, Example 58
CID 151012663
5-chloro-2-methoxy-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzenesulfonamide
CID 84328781
5-chloro-2-methoxy-N-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzenesulfonamide
CID 84329515
5-Chloro-2-methoxy-N-(2-{2-phenyl-3H-imidazo[4,5-B]pyridin-3-YL}ethyl)benzene-1-sulfonamide
CID 46286470

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[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-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide (CID 135156286) is 5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[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-(9-oxa-3,6,11-triazatricyclo[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-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)-c1nccn1CCO2.
What is the InChIKey of 5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide?
The InChIKey is HZGWCLBRKXOUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4S/c1-25-14-3-2-11(18)8-15(14)27(23,24)21-12-9-13-16-19-4-5-22(16)6-7-26-17(13)20-10-12/h2-5,8-10,21H,6-7H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide has a molecular weight of 406.85 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide is sourced from PubChem (CID 135156286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).