N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide

C18H17F3N4O2S — CID 20595885

IUPACN-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)c1
InChIInChI=1S/C18H17F3N4O2S/c1-3-28(26,27)24-15-8-13(9-22-10-15)17-23-16(11-25(17)2)12-5-4-6-14(7-12)18(19,20)21/h4-11,24H,3H2,1-2H3
InChIKeyWCHUIJZQWZFGGN-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.93
Rot. Bonds5

About N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide

N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide (PubChem CID 20595885) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide
PubChem CID20595885
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC NameN-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)c1
InChIInChI=1S/C18H17F3N4O2S/c1-3-28(26,27)24-15-8-13(9-22-10-15)17-23-16(11-25(17)2)12-5-4-6-14(7-12)18(19,20)21/h4-11,24H,3H2,1-2H3
InChIKeyWCHUIJZQWZFGGN-UHFFFAOYSA-N
XLogP3.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide (CID 20595885) is N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cncc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)c1.
What is the InChIKey of N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide?
The InChIKey is WCHUIJZQWZFGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-3-28(26,27)24-15-8-13(9-22-10-15)17-23-16(11-25(17)2)12-5-4-6-14(7-12)18(19,20)21/h4-11,24H,3H2,1-2H3.
What are the key properties of N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide?
N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 20595885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).