5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide

C22H19ClFN3O3S — CID 53063236

IUPAC5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C22H19ClFN3O3S/c1-30-20-11-8-16(23)14-21(20)31(28,29)25-12-13-27-19-5-3-2-4-18(19)26-22(27)15-6-9-17(24)10-7-15/h2-11,14,25H,12-13H2,1H3
InChIKeyLLPRXMBPKQMYLL-UHFFFAOYSA-N
MW459.93 g/mol
LogP4.48
Rot. Bonds7

About 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide (PubChem CID 53063236) has the molecular formula C22H19ClFN3O3S and a molecular weight of 459.93 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide
PubChem CID53063236
Molecular FormulaC22H19ClFN3O3S
Molecular Weight459.93 g/mol
Exact Mass459.08
IUPAC Name5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C22H19ClFN3O3S/c1-30-20-11-8-16(23)14-21(20)31(28,29)25-12-13-27-19-5-3-2-4-18(19)26-22(27)15-6-9-17(24)10-7-15/h2-11,14,25H,12-13H2,1H3
InChIKeyLLPRXMBPKQMYLL-UHFFFAOYSA-N
XLogP4.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Chloro-2-methoxy-4-methyl-benzenesulfonyl)-1H-benzoimidazole
CID 1094945
1-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl]-1H-benzimidazole
CID 1243561
1-(3-Chlorobenzenesulfonyl)-2-[(1E)-2-(4-ethoxyphenyl)ethenyl]-1H-1,3-benzodiazole
CID 15990861
3-Chloro-N-({3-[(4-ethoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)benzene-1-sulfonamide
CID 16031292
4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 122186560
1-(5-Chloro-2-methoxyphenyl)sulfonylbenzimidazole
CID 741690
2-Methoxy-N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d]imidazol-5-yl)benzenesulfonamide (14)
CID 126962110
1-(5-Chloro-2-ethoxyphenyl)sulfonylbenzimidazole
CID 976936
1-(5-Chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 1288960
1-(4-Chloro-benzenesulfonyl)-2-(2-methoxy-benzyl)-1H-benzoimidazole
CID 3217756
3-chloro-4-fluoro-N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 16031164
2-Chloro-N-({3-[(2-methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)benzene-1-sulfonamide
CID 16031240

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide (CID 53063236) is 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCn1c(-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is LLPRXMBPKQMYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O3S/c1-30-20-11-8-16(23)14-21(20)31(28,29)25-12-13-27-19-5-3-2-4-18(19)26-22(27)15-6-9-17(24)10-7-15/h2-11,14,25H,12-13H2,1H3.
What are the key properties of 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 459.93 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 53063236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).