5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide

C17H13Cl2F4N3O4S — CID 131964563

IUPAC5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide
SMILES[H]N=S(=O)(NC(=O)c1cc(Cl)c(Oc2cnc(OCC(F)(F)F)c(Cl)c2)cc1F)C1CC1
InChIInChI=1S/C17H13Cl2F4N3O4S/c18-11-4-10(15(27)26-31(24,28)9-1-2-9)13(20)5-14(11)30-8-3-12(19)16(25-6-8)29-7-17(21,22)23/h3-6,9H,1-2,7H2,(H2,24,26,27,28)
InChIKeyODZVXWDMFJSGDC-UHFFFAOYSA-N
MW502.27 g/mol
LogP5.11
Rot. Bonds7

About 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide

5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide (PubChem CID 131964563) has the molecular formula C17H13Cl2F4N3O4S and a molecular weight of 502.27 g/mol. Its IUPAC name is 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide
PubChem CID131964563
Molecular FormulaC17H13Cl2F4N3O4S
Molecular Weight502.27 g/mol
Exact Mass500.99
IUPAC Name5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide
SMILES[H]N=S(=O)(NC(=O)c1cc(Cl)c(Oc2cnc(OCC(F)(F)F)c(Cl)c2)cc1F)C1CC1
InChIInChI=1S/C17H13Cl2F4N3O4S/c18-11-4-10(15(27)26-31(24,28)9-1-2-9)13(20)5-14(11)30-8-3-12(19)16(25-6-8)29-7-17(21,22)23/h3-6,9H,1-2,7H2,(H2,24,26,27,28)
InChIKeyODZVXWDMFJSGDC-UHFFFAOYSA-N
XLogP5.11
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.27
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide with MolForge

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Related Compounds

5-chloro-4-[[5-chloro-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
CID 72950465
N-(azetidin-1-ylsulfonyl)-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-5-ethenyl-2-fluorobenzamide
CID 90021610
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide
CID 72949434
(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid
CID 118653703
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide
CID 123929406
5-chloro-4-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-N-sulfamoylbenzamide
CID 72949786
(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid
CID 118653705
5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide
CID 171343351
5-chloro-N-(2,6-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55752771
4-[(5-chloro-6-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
CID 118432601
5-chloro-4-fluoro-N-methylsulfonyl-2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]azetidin-3-yl]oxybenzamide
CID 155174097

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide (CID 131964563) is 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide is [H]N=S(=O)(NC(=O)c1cc(Cl)c(Oc2cnc(OCC(F)(F)F)c(Cl)c2)cc1F)C1CC1.
What is the InChIKey of 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide?
The InChIKey is ODZVXWDMFJSGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F4N3O4S/c18-11-4-10(15(27)26-31(24,28)9-1-2-9)13(20)5-14(11)30-8-3-12(19)16(25-6-8)29-7-17(21,22)23/h3-6,9H,1-2,7H2,(H2,24,26,27,28).
What are the key properties of 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide?
5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide has a molecular weight of 502.27 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide is sourced from PubChem (CID 131964563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).