N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H16ClF3N4O4S — CID 3518610

IUPACN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(OCC(F)(F)F)nc1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C15H16ClF3N4O4S/c1-4-23(28(25,26)12-9(2)21-22(3)13(12)16)14(24)10-5-6-11(20-7-10)27-8-15(17,18)19/h5-7H,4,8H2,1-3H3
InChIKeyFTFDBEAPHLKRNF-UHFFFAOYSA-N
MW440.83 g/mol
LogP2.57
Rot. Bonds6

About N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 3518610) has the molecular formula C15H16ClF3N4O4S and a molecular weight of 440.83 g/mol. Its IUPAC name is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID3518610
Molecular FormulaC15H16ClF3N4O4S
Molecular Weight440.83 g/mol
Exact Mass440.05
IUPAC NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(OCC(F)(F)F)nc1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C15H16ClF3N4O4S/c1-4-23(28(25,26)12-9(2)21-22(3)13(12)16)14(24)10-5-6-11(20-7-10)27-8-15(17,18)19/h5-7H,4,8H2,1-3H3
InChIKeyFTFDBEAPHLKRNF-UHFFFAOYSA-N
XLogP2.57
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.83
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide
CID 3713831
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide
CID 3832664
N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 3693588
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717
2-butoxy-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylacetamide
CID 3856769
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-4-oxobutanamide
CID 3804347
N-piperidin-4-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 119824854
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
(2,5-dioxopyrrolidin-1-yl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 87557953
(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46696653
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51320683

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 3518610) is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCN(C(=O)c1ccc(OCC(F)(F)F)nc1)S(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is FTFDBEAPHLKRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O4S/c1-4-23(28(25,26)12-9(2)21-22(3)13(12)16)14(24)10-5-6-11(20-7-10)27-8-15(17,18)19/h5-7H,4,8H2,1-3H3.
What are the key properties of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 440.83 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 3518610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).