4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide

C20H20F3N3O3S — CID 25025230

IUPAC4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
SMILESCC(C)Oc1cccc(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C20H20F3N3O3S/c1-13(2)29-16-5-3-4-14(10-16)11-26-12-18(20(21,22)23)25-19(26)15-6-8-17(9-7-15)30(24,27)28/h3-10,12-13H,11H2,1-2H3,(H2,24,27,28)
InChIKeyHZYKKAWEGTYYMF-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.05
Rot. Bonds6

About 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide

4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide (PubChem CID 25025230) has the molecular formula C20H20F3N3O3S and a molecular weight of 439.46 g/mol. Its IUPAC name is 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
PubChem CID25025230
Molecular FormulaC20H20F3N3O3S
Molecular Weight439.46 g/mol
Exact Mass439.12
IUPAC Name4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
SMILESCC(C)Oc1cccc(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C20H20F3N3O3S/c1-13(2)29-16-5-3-4-14(10-16)11-26-12-18(20(21,22)23)25-19(26)15-6-8-17(9-7-15)30(24,27)28/h3-10,12-13H,11H2,1-2H3,(H2,24,27,28)
InChIKeyHZYKKAWEGTYYMF-UHFFFAOYSA-N
XLogP4.05
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide (CID 25025230) is 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide is CC(C)Oc1cccc(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
The InChIKey is HZYKKAWEGTYYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3S/c1-13(2)29-16-5-3-4-14(10-16)11-26-12-18(20(21,22)23)25-19(26)15-6-8-17(9-7-15)30(24,27)28/h3-10,12-13H,11H2,1-2H3,(H2,24,27,28).
What are the key properties of 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide has a molecular weight of 439.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-propan-2-yloxyphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 25025230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).