4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

C18H18F3N3O3S — CID 20955841

IUPAC4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C18H18F3N3O3S/c1-2-27-13-7-9-14(10-8-13)28(25,26)22-11-12-24-16-6-4-3-5-15(16)23-17(24)18(19,20)21/h3-10,22H,2,11-12H2,1H3
InChIKeyLQECJBLKMAHRLL-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.43
Rot. Bonds7

About 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 20955841) has the molecular formula C18H18F3N3O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID20955841
Molecular FormulaC18H18F3N3O3S
Molecular Weight413.42 g/mol
Exact Mass413.10
IUPAC Name4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C18H18F3N3O3S/c1-2-27-13-7-9-14(10-8-13)28(25,26)22-11-12-24-16-6-4-3-5-15(16)23-17(24)18(19,20)21/h3-10,22H,2,11-12H2,1H3
InChIKeyLQECJBLKMAHRLL-UHFFFAOYSA-N
XLogP3.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-Phenoxybutyl)benzimidazol-2-yl]propan-1-ol
CID 2946738
1-[2-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
CID 761921
1-[2-(4-Methoxy-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
CID 780983
2-(phenoxymethyl)-1-propyl-1H-benzimidazole
CID 921242
1-(2-(4-Fluorophenoxy)ethyl)-1H-benzo[d]imidazol-2-amine
CID 2759058
1-Isopropyl-2-phenoxymethyl-1H-benzoimidazole
CID 687914
2-(Phenoxymethyl)-1-prop-2-enylbenzimidazole
CID 716444
(4-Methoxy-phenyl)-(1-methyl-1H-benzoimidazol-2-ylmethyl)-amine
CID 797033
1-(4-Ethoxyphenyl)sulfonylbenzimidazole
CID 846993
N-[1-(4-Methoxy-phenyl)-1H-benzoimidazol-5-yl]-benzenesulfonamide
CID 1077757
1-(4-Fluoro-2-methoxy-benzenesulfonyl)-2-methyl-1H-benzoimidazole
CID 1106581
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole
CID 1583575

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (CID 20955841) is 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is LQECJBLKMAHRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3S/c1-2-27-13-7-9-14(10-8-13)28(25,26)22-11-12-24-16-6-4-3-5-15(16)23-17(24)18(19,20)21/h3-10,22H,2,11-12H2,1H3.
What are the key properties of 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 413.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 20955841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).