5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride

C6H5ClF2N2O3S — CID 130105066

IUPAC5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride
SMILESNc1c(C(F)F)c(S(=O)(=O)Cl)c[nH]c1=O
InChIInChI=1S/C6H5ClF2N2O3S/c7-15(13,14)2-1-11-6(12)4(10)3(2)5(8)9/h1,5H,10H2,(H,11,12)
InChIKeyDKEMUYVAELVJNG-UHFFFAOYSA-N
MW258.63 g/mol
LogP0.82
Rot. Bonds2

About 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride

5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride (PubChem CID 130105066) has the molecular formula C6H5ClF2N2O3S and a molecular weight of 258.63 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride
PubChem CID130105066
Molecular FormulaC6H5ClF2N2O3S
Molecular Weight258.63 g/mol
Exact Mass257.97
IUPAC Name5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride
SMILESNc1c(C(F)F)c(S(=O)(=O)Cl)c[nH]c1=O
InChIInChI=1S/C6H5ClF2N2O3S/c7-15(13,14)2-1-11-6(12)4(10)3(2)5(8)9/h1,5H,10H2,(H,11,12)
InChIKeyDKEMUYVAELVJNG-UHFFFAOYSA-N
XLogP0.82
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118816791
4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118852230
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride
CID 130105040
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 118805633
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118804024
4-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-sulfonamide
CID 118851891
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130104879
1-oxo-2H-isoquinoline-4-sulfonyl chloride
CID 86598072
5-bromo-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130110670
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonyl chloride
CID 130105042

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride (CID 130105066) is 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride is Nc1c(C(F)F)c(S(=O)(=O)Cl)c[nH]c1=O.
What is the InChIKey of 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride?
The InChIKey is DKEMUYVAELVJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O3S/c7-15(13,14)2-1-11-6(12)4(10)3(2)5(8)9/h1,5H,10H2,(H,11,12).
What are the key properties of 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride?
5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride has a molecular weight of 258.63 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 130105066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).