N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide

C24H24FN3O3S2 — CID 50772697

IUPACN-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1
InChIInChI=1S/C24H24FN3O3S2/c1-14-10-15(2)16(3)23(11-14)33(30,31)26-19-12-20-21(28(5)24(29)27(20)4)13-22(19)32-18-8-6-17(25)7-9-18/h6-13,26H,1-5H3
InChIKeyALGIWZTVOMEEIU-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.89
Rot. Bonds5

About N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide

N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide (PubChem CID 50772697) has the molecular formula C24H24FN3O3S2 and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide
PubChem CID50772697
Molecular FormulaC24H24FN3O3S2
Molecular Weight485.61 g/mol
Exact Mass485.12
IUPAC NameN-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1
InChIInChI=1S/C24H24FN3O3S2/c1-14-10-15(2)16(3)23(11-14)33(30,31)26-19-12-20-21(28(5)24(29)27(20)4)13-22(19)32-18-8-6-17(25)7-9-18/h6-13,26H,1-5H3
InChIKeyALGIWZTVOMEEIU-UHFFFAOYSA-N
XLogP4.89
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(Cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluoro-3-methylbenzene-1-sulfonamide
CID 35397657
N-{1,3-Dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-4-fluorobenzene-1-sulfonamide
CID 50772644
N-{6-[(4-fluorophenyl)thio]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}indane-5-sulfonamide
CID 50772861
4-Cyano-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}benzene-1-sulfonamide
CID 50772581
3-Cyano-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}benzene-1-sulfonamide
CID 50772597
N-{6-[(4-Fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-4-(2-methylpropyl)benzene-1-sulfonamide
CID 50772620
N-{6-[(4-Fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}benzenesulfonamide
CID 50772621
4-Ethyl-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}benzene-1-sulfonamide
CID 50772645
N-{6-[(4-Fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-4-(propan-2-YL)benzene-1-sulfonamide
CID 50772646
3-Fluoro-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-4-methylbenzene-1-sulfonamide
CID 50772699
N-{1,3-Dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-3-fluorobenzene-1-sulfonamide
CID 50772700
N-{1,3-Dimethyl-6-[(4-methylphenyl)sulfanyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-3,4-difluorobenzene-1-sulfonamide
CID 50772701

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide (CID 50772697) is N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide?
The InChIKey is ALGIWZTVOMEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S2/c1-14-10-15(2)16(3)23(11-14)33(30,31)26-19-12-20-21(28(5)24(29)27(20)4)13-22(19)32-18-8-6-17(25)7-9-18/h6-13,26H,1-5H3.
What are the key properties of N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide?
N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide has a molecular weight of 485.61 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,3,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 50772697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).