3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C18H19F3N2O3S — CID 146335152

IUPAC3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCc1ccc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NS(=O)(=O)C(C)C
InChIInChI=1S/C18H19F3N2O3S/c1-4-12-8-9-15(13-6-5-7-14(10-13)18(19,20)21)22-16(12)17(24)23-27(25,26)11(2)3/h5-11H,4H2,1-3H3,(H,23,24)
InChIKeySOMWTKMPQXCTDT-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.80
Rot. Bonds5

About 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 146335152) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID146335152
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCc1ccc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NS(=O)(=O)C(C)C
InChIInChI=1S/C18H19F3N2O3S/c1-4-12-8-9-15(13-6-5-7-14(10-13)18(19,20)21)22-16(12)17(24)23-27(25,26)11(2)3/h5-11H,4H2,1-3H3,(H,23,24)
InChIKeySOMWTKMPQXCTDT-UHFFFAOYSA-N
XLogP3.80
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 146335152) is 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CCc1ccc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NS(=O)(=O)C(C)C.
What is the InChIKey of 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is SOMWTKMPQXCTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-4-12-8-9-15(13-6-5-7-14(10-13)18(19,20)21)22-16(12)17(24)23-27(25,26)11(2)3/h5-11H,4H2,1-3H3,(H,23,24).
What are the key properties of 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 146335152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).