[ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel

C12H9F3N4NiO2S — CID 170964550

IUPAC[ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel
SMILESC=CN(C=[Ni])S(=O)(=O)c1ccc(-n2cc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C12H9F3N4O2S.Ni/c1-3-18(2)22(20,21)10-4-5-11(16-7-10)19-8-9(6-17-19)12(13,14)15;/h2-8H,1H2;
InChIKeyAVAQNSDITRTNBA-UHFFFAOYSA-N
MW388.98 g/mol
LogP1.73
Rot. Bonds5

About [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel

[ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel (PubChem CID 170964550) has the molecular formula C12H9F3N4NiO2S and a molecular weight of 388.98 g/mol. Its IUPAC name is [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel.

Molecular Properties

Compound Name[ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel
PubChem CID170964550
Molecular FormulaC12H9F3N4NiO2S
Molecular Weight388.98 g/mol
Exact Mass387.98
IUPAC Name[ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel
SMILESC=CN(C=[Ni])S(=O)(=O)c1ccc(-n2cc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C12H9F3N4O2S.Ni/c1-3-18(2)22(20,21)10-4-5-11(16-7-10)19-8-9(6-17-19)12(13,14)15;/h2-8H,1H2;
InChIKeyAVAQNSDITRTNBA-UHFFFAOYSA-N
XLogP1.73
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.98
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964811
N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 67526456
N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 171463665
5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 107086174
N-(1,6-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170965119
N-(6-methoxy-2-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964743
trans-(1S,3R)-2-methyl-3-phenyl-1-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonylamino]cyclopropane-1-carboxylic acid;hydrochloride
CID 159806279
6-(4-aminopyrazol-1-yl)pyridine-3-sulfonamide
CID 61175242
N-(1-pyridin-2-ylpyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 166211989
1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968677
[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80902981
2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 175751887

Frequently Asked Questions

What is the IUPAC name of [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel?
The IUPAC name of [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel (CID 170964550) is [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel.
What is the SMILES notation for [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel?
The canonical SMILES for [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel is C=CN(C=[Ni])S(=O)(=O)c1ccc(-n2cc(C(F)(F)F)cn2)nc1.
What is the InChIKey of [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel?
The InChIKey is AVAQNSDITRTNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2S.Ni/c1-3-18(2)22(20,21)10-4-5-11(16-7-10)19-8-9(6-17-19)12(13,14)15;/h2-8H,1H2;.
What are the key properties of [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel?
[ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel has a molecular weight of 388.98 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel is sourced from PubChem (CID 170964550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).