3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide

C22H20ClFN2O5S — CID 2081743

IUPAC3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide
SMILESCOc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C22H20ClFN2O5S/c1-26(19-12-18(23)20(30-2)13-21(19)31-3)32(28,29)17-6-4-5-14(11-17)22(27)25-16-9-7-15(24)8-10-16/h4-13H,1-3H3,(H,25,27)
InChIKeyJUOPMYXUPNRCMT-UHFFFAOYSA-N
MW478.93 g/mol
LogP4.57
Rot. Bonds7

About 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide

3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide (PubChem CID 2081743) has the molecular formula C22H20ClFN2O5S and a molecular weight of 478.93 g/mol. Its IUPAC name is 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide
PubChem CID2081743
Molecular FormulaC22H20ClFN2O5S
Molecular Weight478.93 g/mol
Exact Mass478.08
IUPAC Name3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide
SMILESCOc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C22H20ClFN2O5S/c1-26(19-12-18(23)20(30-2)13-21(19)31-3)32(28,29)17-6-4-5-14(11-17)22(27)25-16-9-7-15(24)8-10-16/h4-13H,1-3H3,(H,25,27)
InChIKeyJUOPMYXUPNRCMT-UHFFFAOYSA-N
XLogP4.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.93
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide 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

3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-methylphenyl)benzamide
CID 2081686
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide
CID 26711027
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2119551
N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide
CID 100501676
N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 51204944
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
CID 55611031
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]-3-fluorobenzamide
CID 57012982
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-[4-(diethylamino)phenyl]benzamide
CID 2433943
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide (CID 2081743) is 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide is COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1Cl.
What is the InChIKey of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide?
The InChIKey is JUOPMYXUPNRCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O5S/c1-26(19-12-18(23)20(30-2)13-21(19)31-3)32(28,29)17-6-4-5-14(11-17)22(27)25-16-9-7-15(24)8-10-16/h4-13H,1-3H3,(H,25,27).
What are the key properties of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide?
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide has a molecular weight of 478.93 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 2081743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).