1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone

C15H14ClF3N2O5S — CID 147902495

IUPAC1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
SMILESCOc1ccc(S(=O)(=O)CC(=O)c2ncn(CCOC(F)(F)F)c2Cl)cc1
InChIInChI=1S/C15H14ClF3N2O5S/c1-25-10-2-4-11(5-3-10)27(23,24)8-12(22)13-14(16)21(9-20-13)6-7-26-15(17,18)19/h2-5,9H,6-8H2,1H3
InChIKeyIENSVEBDMYNZSW-UHFFFAOYSA-N
MW426.80 g/mol
LogP2.74
Rot. Bonds8

About 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone

1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone (PubChem CID 147902495) has the molecular formula C15H14ClF3N2O5S and a molecular weight of 426.80 g/mol. Its IUPAC name is 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
PubChem CID147902495
Molecular FormulaC15H14ClF3N2O5S
Molecular Weight426.80 g/mol
Exact Mass426.03
IUPAC Name1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
SMILESCOc1ccc(S(=O)(=O)CC(=O)c2ncn(CCOC(F)(F)F)c2Cl)cc1
InChIInChI=1S/C15H14ClF3N2O5S/c1-25-10-2-4-11(5-3-10)27(23,24)8-12(22)13-14(16)21(9-20-13)6-7-26-15(17,18)19/h2-5,9H,6-8H2,1H3
InChIKeyIENSVEBDMYNZSW-UHFFFAOYSA-N
XLogP2.74
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone?
The IUPAC name of 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone (CID 147902495) is 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone.
What is the SMILES notation for 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone?
The canonical SMILES for 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone is COc1ccc(S(=O)(=O)CC(=O)c2ncn(CCOC(F)(F)F)c2Cl)cc1.
What is the InChIKey of 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone?
The InChIKey is IENSVEBDMYNZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O5S/c1-25-10-2-4-11(5-3-10)27(23,24)8-12(22)13-14(16)21(9-20-13)6-7-26-15(17,18)19/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone?
1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone has a molecular weight of 426.80 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]-2-(4-methoxyphenyl)sulfonylethanone is sourced from PubChem (CID 147902495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).