4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide

C23H17ClFN3O4S — CID 25216787

IUPAC4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C23H17ClFN3O4S/c1-2-12-5-6-18-15(8-12)20-14-4-3-7-27-22(14)32-23(29)21(20)28(18)11-13-9-19(33(26,30)31)17(25)10-16(13)24/h3-10H,2,11H2,1H3,(H2,26,30,31)
InChIKeyNVJIQJGYYBXWQC-UHFFFAOYSA-N
MW485.92 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide

4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 25216787) has the molecular formula C23H17ClFN3O4S and a molecular weight of 485.92 g/mol. Its IUPAC name is 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide
PubChem CID25216787
Molecular FormulaC23H17ClFN3O4S
Molecular Weight485.92 g/mol
Exact Mass485.06
IUPAC Name4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C23H17ClFN3O4S/c1-2-12-5-6-18-15(8-12)20-14-4-3-7-27-22(14)32-23(29)21(20)28(18)11-13-9-19(33(26,30)31)17(25)10-16(13)24/h3-10H,2,11H2,1H3,(H2,26,30,31)
InChIKeyNVJIQJGYYBXWQC-UHFFFAOYSA-N
XLogP4.35
TPSA108.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide (CID 25216787) is 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide is CCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(S(N)(=O)=O)c(F)cc1Cl.
What is the InChIKey of 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is NVJIQJGYYBXWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O4S/c1-2-12-5-6-18-15(8-12)20-14-4-3-7-27-22(14)32-23(29)21(20)28(18)11-13-9-19(33(26,30)31)17(25)10-16(13)24/h3-10H,2,11H2,1H3,(H2,26,30,31).
What are the key properties of 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide?
4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 485.92 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 25216787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).