4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride

C6H4ClF3N2O4S — CID 118844938

IUPAC4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
SMILESNc1c(OC(F)(F)F)c[nH]c(=O)c1S(=O)(=O)Cl
InChIInChI=1S/C6H4ClF3N2O4S/c7-17(14,15)4-3(11)2(1-12-5(4)13)16-6(8,9)10/h1H,(H3,11,12,13)
InChIKeyCVKLCBUWIAEDGS-UHFFFAOYSA-N
MW292.62 g/mol
LogP0.78
Rot. Bonds2

About 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride

4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride (PubChem CID 118844938) has the molecular formula C6H4ClF3N2O4S and a molecular weight of 292.62 g/mol. Its IUPAC name is 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
PubChem CID118844938
Molecular FormulaC6H4ClF3N2O4S
Molecular Weight292.62 g/mol
Exact Mass291.95
IUPAC Name4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
SMILESNc1c(OC(F)(F)F)c[nH]c(=O)c1S(=O)(=O)Cl
InChIInChI=1S/C6H4ClF3N2O4S/c7-17(14,15)4-3(11)2(1-12-5(4)13)16-6(8,9)10/h1H,(H3,11,12,13)
InChIKeyCVKLCBUWIAEDGS-UHFFFAOYSA-N
XLogP0.78
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.62
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131318676
4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118816791
5-methyl-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131305690
5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 131305685
3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089031
2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131311062
4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 131623214
2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 134666235
3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118991199
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785
2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 119023237

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride (CID 118844938) is 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride is Nc1c(OC(F)(F)F)c[nH]c(=O)c1S(=O)(=O)Cl.
What is the InChIKey of 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The InChIKey is CVKLCBUWIAEDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O4S/c7-17(14,15)4-3(11)2(1-12-5(4)13)16-6(8,9)10/h1H,(H3,11,12,13).
What are the key properties of 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride has a molecular weight of 292.62 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118844938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).