sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide

C13H7F4N2NaO3S — CID 24997557

IUPACsodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide
SMILESO=C([N-]S(=O)(=O)c1cccnc1)c1ccc(F)cc1C(F)(F)F.[Na+]
InChIInChI=1S/C13H8F4N2O3S.Na/c14-8-3-4-10(11(6-8)13(15,16)17)12(20)19-23(21,22)9-2-1-5-18-7-9;/h1-7H,(H,19,20);/q;+1/p-1
InChIKeyKAPXAKNRGMNLHX-UHFFFAOYSA-M
MW370.26 g/mol
LogP0.15
Rot. Bonds3

About sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide

sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide (PubChem CID 24997557) has the molecular formula C13H7F4N2NaO3S and a molecular weight of 370.26 g/mol. Its IUPAC name is sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide.

Molecular Properties

Compound Namesodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide
PubChem CID24997557
Molecular FormulaC13H7F4N2NaO3S
Molecular Weight370.26 g/mol
Exact Mass370.00
IUPAC Namesodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide
SMILESO=C([N-]S(=O)(=O)c1cccnc1)c1ccc(F)cc1C(F)(F)F.[Na+]
InChIInChI=1S/C13H8F4N2O3S.Na/c14-8-3-4-10(11(6-8)13(15,16)17)12(20)19-23(21,22)9-2-1-5-18-7-9;/h1-7H,(H,19,20);/q;+1/p-1
InChIKeyKAPXAKNRGMNLHX-UHFFFAOYSA-M
XLogP0.15
TPSA78.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide?
The IUPAC name of sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide (CID 24997557) is sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide.
What is the SMILES notation for sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide?
The canonical SMILES for sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide is O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(F)cc1C(F)(F)F.[Na+].
What is the InChIKey of sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide?
The InChIKey is KAPXAKNRGMNLHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8F4N2O3S.Na/c14-8-3-4-10(11(6-8)13(15,16)17)12(20)19-23(21,22)9-2-1-5-18-7-9;/h1-7H,(H,19,20);/q;+1/p-1.
What are the key properties of sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide?
sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide has a molecular weight of 370.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [4-fluoro-2-(trifluoromethyl)benzoyl]-pyridin-3-ylsulfonylazanide is sourced from PubChem (CID 24997557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).