N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

C24H22F3N3O2S — CID 46379481

IUPACN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCn1c(CCc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)nc2ccccc21
InChIInChI=1S/C24H22F3N3O2S/c1-2-30-22-9-4-3-8-21(22)28-23(30)15-12-17-10-13-19(14-11-17)29-33(31,32)20-7-5-6-18(16-20)24(25,26)27/h3-11,13-14,16,29H,2,12,15H2,1H3
InChIKeyGYUDFQKTHMUQFI-UHFFFAOYSA-N
MW473.52 g/mol
LogP5.66
Rot. Bonds7

About N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46379481) has the molecular formula C24H22F3N3O2S and a molecular weight of 473.52 g/mol. Its IUPAC name is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46379481
Molecular FormulaC24H22F3N3O2S
Molecular Weight473.52 g/mol
Exact Mass473.14
IUPAC NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCn1c(CCc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)nc2ccccc21
InChIInChI=1S/C24H22F3N3O2S/c1-2-30-22-9-4-3-8-21(22)28-23(30)15-12-17-10-13-19(14-11-17)29-33(31,32)20-7-5-6-18(16-20)24(25,26)27/h3-11,13-14,16,29H,2,12,15H2,1H3
InChIKeyGYUDFQKTHMUQFI-UHFFFAOYSA-N
XLogP5.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 50822902
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 50822870
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide
CID 50822864
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 50765566
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
CID 50765558
N-benzyl-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2548502
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 141108251
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 50822859

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 46379481) is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is CCn1c(CCc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GYUDFQKTHMUQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2S/c1-2-30-22-9-4-3-8-21(22)28-23(30)15-12-17-10-13-19(14-11-17)29-33(31,32)20-7-5-6-18(16-20)24(25,26)27/h3-11,13-14,16,29H,2,12,15H2,1H3.
What are the key properties of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 473.52 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46379481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).