ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate

C23H20FN3O4S — CID 167886525

IUPACethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cnc4ccccc43)cc2)ccc1F
InChIInChI=1S/C23H20FN3O4S/c1-2-31-23(28)19-13-18(11-12-20(19)24)32(29,30)26-14-16-7-9-17(10-8-16)27-15-25-21-5-3-4-6-22(21)27/h3-13,15,26H,2,14H2,1H3
InChIKeySFQSUAILRYIQHL-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.82
Rot. Bonds7

About ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate

ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate (PubChem CID 167886525) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate.

Molecular Properties

Compound Nameethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate
PubChem CID167886525
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC Nameethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cnc4ccccc43)cc2)ccc1F
InChIInChI=1S/C23H20FN3O4S/c1-2-31-23(28)19-13-18(11-12-20(19)24)32(29,30)26-14-16-7-9-17(10-8-16)27-15-25-21-5-3-4-6-22(21)27/h3-13,15,26H,2,14H2,1H3
InChIKeySFQSUAILRYIQHL-UHFFFAOYSA-N
XLogP3.82
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate 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-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 166203692
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(3-ethylpyrrol-1-yl)urea
CID 169434122
ethyl 4-[[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]methyl]benzoate
CID 49456162
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78803455
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 5044331
1-(4-ethoxyphenyl)benzimidazole
CID 175001446

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate?
The IUPAC name of ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate (CID 167886525) is ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate.
What is the SMILES notation for ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate?
The canonical SMILES for ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate is CCOC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cnc4ccccc43)cc2)ccc1F.
What is the InChIKey of ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate?
The InChIKey is SFQSUAILRYIQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-2-31-23(28)19-13-18(11-12-20(19)24)32(29,30)26-14-16-7-9-17(10-8-16)27-15-25-21-5-3-4-6-22(21)27/h3-13,15,26H,2,14H2,1H3.
What are the key properties of ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate?
ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate has a molecular weight of 453.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate is sourced from PubChem (CID 167886525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).