14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

C25H18FN3O5S — CID 2314237

IUPAC14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESO=C1c2ccccc2-c2nn(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c3cccc1c23
InChIInChI=1S/C25H18FN3O5S/c26-19-9-8-15(14-21(19)35(32,33)28-10-12-34-13-11-28)25(31)29-20-7-3-6-18-22(20)23(27-29)16-4-1-2-5-17(16)24(18)30/h1-9,14H,10-13H2
InChIKeyUTEBXIJTBJFQGG-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.10
Rot. Bonds3

About 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (PubChem CID 2314237) has the molecular formula C25H18FN3O5S and a molecular weight of 491.50 g/mol. Its IUPAC name is 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.

Molecular Properties

Compound Name14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
PubChem CID2314237
Molecular FormulaC25H18FN3O5S
Molecular Weight491.50 g/mol
Exact Mass491.10
IUPAC Name14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESO=C1c2ccccc2-c2nn(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c3cccc1c23
InChIInChI=1S/C25H18FN3O5S/c26-19-9-8-15(14-21(19)35(32,33)28-10-12-34-13-11-28)25(31)29-20-7-3-6-18-22(20)23(27-29)16-4-1-2-5-17(16)24(18)30/h1-9,14H,10-13H2
InChIKeyUTEBXIJTBJFQGG-UHFFFAOYSA-N
XLogP3.10
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one with MolForge

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Related Compounds

14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 2133732
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
5,6-dihydrobenzo[b][1]benzazepin-11-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 3620795
2,3-dihydroindol-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2334784
(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24983009
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537140
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964

Frequently Asked Questions

What is the IUPAC name of 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The IUPAC name of 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (CID 2314237) is 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.
What is the SMILES notation for 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The canonical SMILES for 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is O=C1c2ccccc2-c2nn(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c3cccc1c23.
What is the InChIKey of 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The InChIKey is UTEBXIJTBJFQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O5S/c26-19-9-8-15(14-21(19)35(32,33)28-10-12-34-13-11-28)25(31)29-20-7-3-6-18-22(20)23(27-29)16-4-1-2-5-17(16)24(18)30/h1-9,14H,10-13H2.
What are the key properties of 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one has a molecular weight of 491.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is sourced from PubChem (CID 2314237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).