3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

C22H18F3N3O4S — CID 164903509

IUPAC3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C22H18F3N3O4S/c1-26-33(29,30)16-8-10-20(32-14-5-3-13(4-6-14)22(23,24)25)17(12-16)21-27-18-9-7-15(31-2)11-19(18)28-21/h3-12,26H,1-2H3,(H,27,28)
InChIKeyFPFFKTSZTMMDGR-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.96
Rot. Bonds6

About 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 164903509) has the molecular formula C22H18F3N3O4S and a molecular weight of 477.46 g/mol. Its IUPAC name is 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID164903509
Molecular FormulaC22H18F3N3O4S
Molecular Weight477.46 g/mol
Exact Mass477.10
IUPAC Name3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C22H18F3N3O4S/c1-26-33(29,30)16-8-10-20(32-14-5-3-13(4-6-14)22(23,24)25)17(12-16)21-27-18-9-7-15(31-2)11-19(18)28-21/h3-12,26H,1-2H3,(H,27,28)
InChIKeyFPFFKTSZTMMDGR-UHFFFAOYSA-N
XLogP4.96
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 46886471
N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 155342852
3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903500
3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049334
N-methyl-3-[(6S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049351
N-methyl-3-[(6R)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049373
N-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903602
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110538644
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 164903509) is 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nc3ccc(OC)cc3[nH]2)c1.
What is the InChIKey of 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is FPFFKTSZTMMDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O4S/c1-26-33(29,30)16-8-10-20(32-14-5-3-13(4-6-14)22(23,24)25)17(12-16)21-27-18-9-7-15(31-2)11-19(18)28-21/h3-12,26H,1-2H3,(H,27,28).
What are the key properties of 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 477.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 164903509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).