N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide

C17H15F2N3O2S — CID 146311987

IUPACN-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)S(=O)N1CCN2CC1
InChIInChI=1S/C17H15F2N3O2S/c18-13-3-2-12(10-14(13)19)20-17(23)11-1-4-15-16(9-11)25(24)22-7-5-21(15)6-8-22/h1-4,9-10H,5-8H2,(H,20,23)
InChIKeyZRQQZOZARKXEII-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.38
Rot. Bonds2

About N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide

N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide (PubChem CID 146311987) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide
PubChem CID146311987
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC NameN-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)S(=O)N1CCN2CC1
InChIInChI=1S/C17H15F2N3O2S/c18-13-3-2-12(10-14(13)19)20-17(23)11-1-4-15-16(9-11)25(24)22-7-5-21(15)6-8-22/h1-4,9-10H,5-8H2,(H,20,23)
InChIKeyZRQQZOZARKXEII-UHFFFAOYSA-N
XLogP2.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide with MolForge

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Related Compounds

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4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
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5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 118684023
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188
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CID 1485265
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide (CID 146311987) is N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)S(=O)N1CCN2CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide?
The InChIKey is ZRQQZOZARKXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c18-13-3-2-12(10-14(13)19)20-17(23)11-1-4-15-16(9-11)25(24)22-7-5-21(15)6-8-22/h1-4,9-10H,5-8H2,(H,20,23).
What are the key properties of N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide?
N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-8-oxo-8λ4-thia-1,9-diazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-5-carboxamide is sourced from PubChem (CID 146311987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).