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

C17H15Cl2F3N2O3S — CID 149013337

IUPAC2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Cl)c1)c1ncn(C2CCCC2C(F)(F)F)c1Cl
InChIInChI=1S/C17H15Cl2F3N2O3S/c18-10-3-1-4-11(7-10)28(26,27)8-14(25)15-16(19)24(9-23-15)13-6-2-5-12(13)17(20,21)22/h1,3-4,7,9,12-13H,2,5-6,8H2
InChIKeyQCBIVFWBLAGDJS-UHFFFAOYSA-N
MW455.29 g/mol
LogP4.75
Rot. Bonds5

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

2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone (PubChem CID 149013337) has the molecular formula C17H15Cl2F3N2O3S and a molecular weight of 455.29 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone
PubChem CID149013337
Molecular FormulaC17H15Cl2F3N2O3S
Molecular Weight455.29 g/mol
Exact Mass454.01
IUPAC Name2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Cl)c1)c1ncn(C2CCCC2C(F)(F)F)c1Cl
InChIInChI=1S/C17H15Cl2F3N2O3S/c18-10-3-1-4-11(7-10)28(26,27)8-14(25)15-16(19)24(9-23-15)13-6-2-5-12(13)17(20,21)22/h1,3-4,7,9,12-13H,2,5-6,8H2
InChIKeyQCBIVFWBLAGDJS-UHFFFAOYSA-N
XLogP4.75
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.29
LogP ≤ 54.75
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)cyclopentyl]imidazol-4-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone (CID 149013337) is 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone is O=C(CS(=O)(=O)c1cccc(Cl)c1)c1ncn(C2CCCC2C(F)(F)F)c1Cl.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone?
The InChIKey is QCBIVFWBLAGDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O3S/c18-10-3-1-4-11(7-10)28(26,27)8-14(25)15-16(19)24(9-23-15)13-6-2-5-12(13)17(20,21)22/h1,3-4,7,9,12-13H,2,5-6,8H2.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone?
2-(3-chlorophenyl)sulfonyl-1-[5-chloro-1-[2-(trifluoromethyl)cyclopentyl]imidazol-4-yl]ethanone has a molecular weight of 455.29 g/mol, XLogP of 4.75, 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)cyclopentyl]imidazol-4-yl]ethanone is sourced from PubChem (CID 149013337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).