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

C21H16ClF2N3O3S2 — CID 50772836

IUPACN-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(NS(=O)(=O)c3cc(F)ccc3F)cc21
InChIInChI=1S/C21H16ClF2N3O3S2/c1-26-17-10-16(25-32(29,30)20-9-13(23)5-8-15(20)24)19(11-18(17)27(2)21(26)28)31-14-6-3-12(22)4-7-14/h3-11,25H,1-2H3
InChIKeyFSZORKXWEHCBTC-UHFFFAOYSA-N
MW495.96 g/mol
LogP4.76
Rot. Bonds5

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

N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 50772836) has the molecular formula C21H16ClF2N3O3S2 and a molecular weight of 495.96 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide
PubChem CID50772836
Molecular FormulaC21H16ClF2N3O3S2
Molecular Weight495.96 g/mol
Exact Mass495.03
IUPAC NameN-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(NS(=O)(=O)c3cc(F)ccc3F)cc21
InChIInChI=1S/C21H16ClF2N3O3S2/c1-26-17-10-16(25-32(29,30)20-9-13(23)5-8-15(20)24)19(11-18(17)27(2)21(26)28)31-14-6-3-12(22)4-7-14/h3-11,25H,1-2H3
InChIKeyFSZORKXWEHCBTC-UHFFFAOYSA-N
XLogP4.76
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.96
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-Chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-2,4-difluorobenzene-1-sulfonamide
CID 50772860
4-Chloro-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}benzene-1-sulfonamide
CID 50772905
3-Chloro-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluorobenzene-1-sulfonamide
CID 35397565
N-{6-[(4-Fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}thiophene-2-sulfonamide
CID 50772577
5-Chloro-N-{6-[(4-fluorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}thiophene-2-sulfonamide
CID 50772578
N-{6-[(4-Chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL}-2-fluorobenzene-1-sulfonamide
CID 50772600
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

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide (CID 50772836) is N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide is Cn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(NS(=O)(=O)c3cc(F)ccc3F)cc21.
What is the InChIKey of N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is FSZORKXWEHCBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N3O3S2/c1-26-17-10-16(25-32(29,30)20-9-13(23)5-8-15(20)24)19(11-18(17)27(2)21(26)28)31-14-6-3-12(22)4-7-14/h3-11,25H,1-2H3.
What are the key properties of N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide?
N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 495.96 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 50772836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).