3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide

C23H22ClFN2O5S — CID 55677845

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccc(Cl)cc3)c2)cc1F
InChIInChI=1S/C23H22ClFN2O5S/c1-31-20-9-5-16(11-19(20)25)13-26-23(28)17-6-10-21(32-2)22(12-17)33(29,30)27-14-15-3-7-18(24)8-4-15/h3-12,27H,13-14H2,1-2H3,(H,26,28)
InChIKeyMEHICOFDSVRQEQ-UHFFFAOYSA-N
MW492.96 g/mol
LogP3.90
Rot. Bonds9

About 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide

3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide (PubChem CID 55677845) has the molecular formula C23H22ClFN2O5S and a molecular weight of 492.96 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
PubChem CID55677845
Molecular FormulaC23H22ClFN2O5S
Molecular Weight492.96 g/mol
Exact Mass492.09
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccc(Cl)cc3)c2)cc1F
InChIInChI=1S/C23H22ClFN2O5S/c1-31-20-9-5-16(11-19(20)25)13-26-23(28)17-6-10-21(32-2)22(12-17)33(29,30)27-14-15-3-7-18(24)8-4-15/h3-12,27H,13-14H2,1-2H3,(H,26,28)
InChIKeyMEHICOFDSVRQEQ-UHFFFAOYSA-N
XLogP3.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 55408146
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 55954991
3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 55585722
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55584298

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide (CID 55677845) is 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide is COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccc(Cl)cc3)c2)cc1F.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide?
The InChIKey is MEHICOFDSVRQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O5S/c1-31-20-9-5-16(11-19(20)25)13-26-23(28)17-6-10-21(32-2)22(12-17)33(29,30)27-14-15-3-7-18(24)8-4-15/h3-12,27H,13-14H2,1-2H3,(H,26,28).
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide has a molecular weight of 492.96 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 55677845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).