N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide

C20H19F3N4OS — CID 71068236

IUPACN-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide
SMILESC/C=C(\C)NS(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2C)cc1
InChIInChI=1S/C20H19F3N4OS/c1-4-13(2)26-29(28)16-9-7-15(8-10-16)27-12-18(20(21,22)23)25-19(27)17-6-5-11-24-14(17)3/h4-12,26H,1-3H3/b13-4+
InChIKeyRKNPEUHJYGFLFR-YIXHJXPBSA-N
MW420.46 g/mol
LogP4.80
Rot. Bonds5

About N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide

N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide (PubChem CID 71068236) has the molecular formula C20H19F3N4OS and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide
PubChem CID71068236
Molecular FormulaC20H19F3N4OS
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC NameN-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide
SMILESC/C=C(\C)NS(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2C)cc1
InChIInChI=1S/C20H19F3N4OS/c1-4-13(2)26-29(28)16-9-7-15(8-10-16)27-12-18(20(21,22)23)25-19(27)17-6-5-11-24-14(17)3/h4-12,26H,1-3H3/b13-4+
InChIKeyRKNPEUHJYGFLFR-YIXHJXPBSA-N
XLogP4.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide (CID 71068236) is N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide is C/C=C(\C)NS(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2C)cc1.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide?
The InChIKey is RKNPEUHJYGFLFR-YIXHJXPBSA-N. The full InChI is InChI=1S/C20H19F3N4OS/c1-4-13(2)26-29(28)16-9-7-15(8-10-16)27-12-18(20(21,22)23)25-19(27)17-6-5-11-24-14(17)3/h4-12,26H,1-3H3/b13-4+.
What are the key properties of N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide?
N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide has a molecular weight of 420.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-4-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfinamide is sourced from PubChem (CID 71068236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).