3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

C24H20F3N3O3S — CID 171049334

IUPAC3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3ncn(C4CC4)c3c2)c1
InChIInChI=1S/C24H20F3N3O3S/c1-28-34(31,32)19-9-11-23(33-18-7-3-16(4-8-18)24(25,26)27)20(13-19)15-2-10-21-22(12-15)30(14-29-21)17-5-6-17/h2-4,7-14,17,28H,5-6H2,1H3
InChIKeyFXOIOVJZEGBRQZ-UHFFFAOYSA-N
MW487.50 g/mol
LogP5.76
Rot. Bonds6

About 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 171049334) has the molecular formula C24H20F3N3O3S and a molecular weight of 487.50 g/mol. Its IUPAC name is 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID171049334
Molecular FormulaC24H20F3N3O3S
Molecular Weight487.50 g/mol
Exact Mass487.12
IUPAC Name3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3ncn(C4CC4)c3c2)c1
InChIInChI=1S/C24H20F3N3O3S/c1-28-34(31,32)19-9-11-23(33-18-7-3-16(4-8-18)24(25,26)27)20(13-19)15-2-10-21-22(12-15)30(14-29-21)17-5-6-17/h2-4,7-14,17,28H,5-6H2,1H3
InChIKeyFXOIOVJZEGBRQZ-UHFFFAOYSA-N
XLogP5.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903509
3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903500
N-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903602
3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 160573067
N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 155342852
3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide
CID 164903496
N-methyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide
CID 70369907
4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 91801272
1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608897
4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370979

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 171049334) is 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3ncn(C4CC4)c3c2)c1.
What is the InChIKey of 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is FXOIOVJZEGBRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3S/c1-28-34(31,32)19-9-11-23(33-18-7-3-16(4-8-18)24(25,26)27)20(13-19)15-2-10-21-22(12-15)30(14-29-21)17-5-6-17/h2-4,7-14,17,28H,5-6H2,1H3.
What are the key properties of 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 487.50 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 171049334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).