N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide

C23H26F3N3O4S — CID 169174029

IUPACN-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide
SMILESCC(F)S(=O)(=O)NC1C(F)CN2C(=O)N(C)CCOc3ccccc3-c3cccc(c3F)CC12
InChIInChI=1S/C23H26F3N3O4S/c1-14(24)34(31,32)27-22-18(25)13-29-19(22)12-15-6-5-8-17(21(15)26)16-7-3-4-9-20(16)33-11-10-28(2)23(29)30/h3-9,14,18-19,22,27H,10-13H2,1-2H3
InChIKeyZJUJJJGAPHBBQG-UHFFFAOYSA-N
MW497.54 g/mol
LogP3.11
Rot. Bonds3

About N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide

N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide (PubChem CID 169174029) has the molecular formula C23H26F3N3O4S and a molecular weight of 497.54 g/mol. Its IUPAC name is N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide.

Molecular Properties

Compound NameN-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide
PubChem CID169174029
Molecular FormulaC23H26F3N3O4S
Molecular Weight497.54 g/mol
Exact Mass497.16
IUPAC NameN-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide
SMILESCC(F)S(=O)(=O)NC1C(F)CN2C(=O)N(C)CCOc3ccccc3-c3cccc(c3F)CC12
InChIInChI=1S/C23H26F3N3O4S/c1-14(24)34(31,32)27-22-18(25)13-29-19(22)12-15-6-5-8-17(21(15)26)16-7-3-4-9-20(16)33-11-10-28(2)23(29)30/h3-9,14,18-19,22,27H,10-13H2,1-2H3
InChIKeyZJUJJJGAPHBBQG-UHFFFAOYSA-N
XLogP3.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide with MolForge

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Related Compounds

15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one
CID 170199748
1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide
CID 176836396
1-fluoro-N-(23-fluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)methanesulfonamide
CID 170199965
1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide
CID 170200009
16-(ethylsulfanylamino)-23-fluoro-11-methylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-12-one
CID 169174032
1,1-difluoro-N-(14,14,22-trifluoro-11-oxo-8-oxa-12-azatetracyclo[16.3.1.02,7.012,16]docosa-1(21),2,4,6,18(22),19-hexaen-15-yl)methanesulfonamide
CID 170199942
N-[(16R,17S)-15,15-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]-1,1-difluoromethanesulfonamide
CID 169296454
N-(6,15-difluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide
CID 170199820
23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione
CID 174263444
N-[(16R,17S)-15,15-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]-1-fluoromethanesulfonamide
CID 169173859
1-fluoro-N-(14,14,22-trifluoro-11-oxo-8-oxa-12-azatetracyclo[16.3.1.02,7.012,16]docosa-1(21),2,4,6,18(22),19-hexaen-15-yl)methanesulfonamide
CID 176836338
(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one
CID 169173845

Frequently Asked Questions

What is the IUPAC name of N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide?
The IUPAC name of N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide (CID 169174029) is N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide.
What is the SMILES notation for N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide?
The canonical SMILES for N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide is CC(F)S(=O)(=O)NC1C(F)CN2C(=O)N(C)CCOc3ccccc3-c3cccc(c3F)CC12.
What is the InChIKey of N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide?
The InChIKey is ZJUJJJGAPHBBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4S/c1-14(24)34(31,32)27-22-18(25)13-29-19(22)12-15-6-5-8-17(21(15)26)16-7-3-4-9-20(16)33-11-10-28(2)23(29)30/h3-9,14,18-19,22,27H,10-13H2,1-2H3.
What are the key properties of N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide?
N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide has a molecular weight of 497.54 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide is sourced from PubChem (CID 169174029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).