2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone

C15H11Cl2F3N2O3S — CID 157415746

IUPAC2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Cl)c1)c1ncn(C2CC2C(F)(F)F)c1Cl
InChIInChI=1S/C15H11Cl2F3N2O3S/c16-8-2-1-3-9(4-8)26(24,25)6-12(23)13-14(17)22(7-21-13)11-5-10(11)15(18,19)20/h1-4,7,10-11H,5-6H2
InChIKeyBOVBXWVJGSDVBK-UHFFFAOYSA-N
MW427.23 g/mol
LogP3.97
Rot. Bonds5

About 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone

2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone (PubChem CID 157415746) has the molecular formula C15H11Cl2F3N2O3S and a molecular weight of 427.23 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone
PubChem CID157415746
Molecular FormulaC15H11Cl2F3N2O3S
Molecular Weight427.23 g/mol
Exact Mass425.98
IUPAC Name2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Cl)c1)c1ncn(C2CC2C(F)(F)F)c1Cl
InChIInChI=1S/C15H11Cl2F3N2O3S/c16-8-2-1-3-9(4-8)26(24,25)6-12(23)13-14(17)22(7-21-13)11-5-10(11)15(18,19)20/h1-4,7,10-11H,5-6H2
InChIKeyBOVBXWVJGSDVBK-UHFFFAOYSA-N
XLogP3.97
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.23
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone (CID 157415746) is 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone is O=C(CS(=O)(=O)c1cccc(Cl)c1)c1ncn(C2CC2C(F)(F)F)c1Cl.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone?
The InChIKey is BOVBXWVJGSDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O3S/c16-8-2-1-3-9(4-8)26(24,25)6-12(23)13-14(17)22(7-21-13)11-5-10(11)15(18,19)20/h1-4,7,10-11H,5-6H2.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone?
2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone has a molecular weight of 427.23 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanone is sourced from PubChem (CID 157415746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).