5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide

C9H10ClF3N2O3S — CID 64607138

IUPAC5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C9H10ClF3N2O3S/c1-2-15(5-9(11,12)13)19(17,18)6-3-7(10)8(16)14-4-6/h3-4H,2,5H2,1H3,(H,14,16)
InChIKeyPFDOYWPUCDGLAB-UHFFFAOYSA-N
MW318.70 g/mol
LogP1.60
Rot. Bonds4

About 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide

5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (PubChem CID 64607138) has the molecular formula C9H10ClF3N2O3S and a molecular weight of 318.70 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
PubChem CID64607138
Molecular FormulaC9H10ClF3N2O3S
Molecular Weight318.70 g/mol
Exact Mass318.01
IUPAC Name5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C9H10ClF3N2O3S/c1-2-15(5-9(11,12)13)19(17,18)6-3-7(10)8(16)14-4-6/h3-4H,2,5H2,1H3,(H,14,16)
InChIKeyPFDOYWPUCDGLAB-UHFFFAOYSA-N
XLogP1.60
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 102995739
5-chloro-N,N-dimethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 64608442
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606165
5-chloro-N-ethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64606943
5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide
CID 64608066
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608264
5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 64607143
5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 113499786
4-bromo-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54941900
4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60952307
3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
CID 114490490
methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate
CID 64606547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (CID 64607138) is 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is PFDOYWPUCDGLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O3S/c1-2-15(5-9(11,12)13)19(17,18)6-3-7(10)8(16)14-4-6/h3-4H,2,5H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 318.70 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).