lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide

C17H13F3LiN3O3S — CID 23690247

IUPAClithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide
SMILESCOc1ccc(-c2cc(C(F)F)nn2-c2ccc(S([NH-])(=O)=O)cc2)cc1F.[Li+]
InChIInChI=1S/C17H13F3N3O3S.Li/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25;/h2-9,17H,1H3,(H-,21,24,25);/q-1;+1
InChIKeyGZXFOPLPEJFHFI-UHFFFAOYSA-N
MW403.31 g/mol
LogP1.37
Rot. Bonds5

About lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide

lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide (PubChem CID 23690247) has the molecular formula C17H13F3LiN3O3S and a molecular weight of 403.31 g/mol. Its IUPAC name is lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide.

Molecular Properties

Compound Namelithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide
PubChem CID23690247
Molecular FormulaC17H13F3LiN3O3S
Molecular Weight403.31 g/mol
Exact Mass403.08
IUPAC Namelithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide
SMILESCOc1ccc(-c2cc(C(F)F)nn2-c2ccc(S([NH-])(=O)=O)cc2)cc1F.[Li+]
InChIInChI=1S/C17H13F3N3O3S.Li/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25;/h2-9,17H,1H3,(H-,21,24,25);/q-1;+1
InChIKeyGZXFOPLPEJFHFI-UHFFFAOYSA-N
XLogP1.37
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide?
The IUPAC name of lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide (CID 23690247) is lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide.
What is the SMILES notation for lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide?
The canonical SMILES for lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide is COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S([NH-])(=O)=O)cc2)cc1F.[Li+].
What is the InChIKey of lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide?
The InChIKey is GZXFOPLPEJFHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N3O3S.Li/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25;/h2-9,17H,1H3,(H-,21,24,25);/q-1;+1.
What are the key properties of lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide?
lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide has a molecular weight of 403.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide is sourced from PubChem (CID 23690247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).