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

C22H20ClFN2O5S — CID 2709372

IUPAC2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c(OC)c1
InChIInChI=1S/C22H20ClFN2O5S/c1-26(15-6-4-14(24)5-7-15)32(28,29)17-9-10-19(23)18(13-17)22(27)25-20-11-8-16(30-2)12-21(20)31-3/h4-13H,1-3H3,(H,25,27)
InChIKeyWLIWZRJUEGSPNW-UHFFFAOYSA-N
MW478.93 g/mol
LogP4.57
Rot. Bonds7

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

2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (PubChem CID 2709372) has the molecular formula C22H20ClFN2O5S and a molecular weight of 478.93 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
PubChem CID2709372
Molecular FormulaC22H20ClFN2O5S
Molecular Weight478.93 g/mol
Exact Mass478.08
IUPAC Name2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c(OC)c1
InChIInChI=1S/C22H20ClFN2O5S/c1-26(15-6-4-14(24)5-7-15)32(28,29)17-9-10-19(23)18(13-17)22(27)25-20-11-8-16(30-2)12-21(20)31-3/h4-13H,1-3H3,(H,25,27)
InChIKeyWLIWZRJUEGSPNW-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

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Related Compounds

2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 16551413
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 17434832
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55780312
methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate
CID 30804474
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 2348540
2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26115061
N-(2,4-dimethoxyphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126385845
N-(2,4-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2709362
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
2-[(2,5-dichlorobenzoyl)amino]-5-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]benzoic acid
CID 44513543

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (CID 2709372) is 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c(OC)c1.
What is the InChIKey of 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The InChIKey is WLIWZRJUEGSPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O5S/c1-26(15-6-4-14(24)5-7-15)32(28,29)17-9-10-19(23)18(13-17)22(27)25-20-11-8-16(30-2)12-21(20)31-3/h4-13H,1-3H3,(H,25,27).
What are the key properties of 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]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 2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2709372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).