N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide

C23H22FN3O2S — CID 53063234

IUPACN-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(-c3ccc(F)cc3)nc3ccccc32)cc1C
InChIInChI=1S/C23H22FN3O2S/c1-16-7-12-20(15-17(16)2)30(28,29)25-13-14-27-22-6-4-3-5-21(22)26-23(27)18-8-10-19(24)11-9-18/h3-12,15,25H,13-14H2,1-2H3
InChIKeyJLCPRXKMSGOTIA-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.44
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide

N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 53063234) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID53063234
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC NameN-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(-c3ccc(F)cc3)nc3ccccc32)cc1C
InChIInChI=1S/C23H22FN3O2S/c1-16-7-12-20(15-17(16)2)30(28,29)25-13-14-27-22-6-4-3-5-21(22)26-23(27)18-8-10-19(24)11-9-18/h3-12,15,25H,13-14H2,1-2H3
InChIKeyJLCPRXKMSGOTIA-UHFFFAOYSA-N
XLogP4.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide (CID 53063234) is N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc(F)cc3)nc3ccccc32)cc1C.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is JLCPRXKMSGOTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c1-16-7-12-20(15-17(16)2)30(28,29)25-13-14-27-22-6-4-3-5-21(22)26-23(27)18-8-10-19(24)11-9-18/h3-12,15,25H,13-14H2,1-2H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 423.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 53063234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).