2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C22H20ClFN2O4S — CID 16551413

IUPAC2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)cc3C)c2)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-14-12-15(24)4-11-21(14)25-22(27)19-13-18(9-10-20(19)23)31(28,29)26(2)16-5-7-17(30-3)8-6-16/h4-13H,1-3H3,(H,25,27)
InChIKeyBLVUPTIUSUTDQH-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.87
Rot. Bonds6

About 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 16551413) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID16551413
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)cc3C)c2)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-14-12-15(24)4-11-21(14)25-22(27)19-13-18(9-10-20(19)23)31(28,29)26(2)16-5-7-17(30-3)8-6-16/h4-13H,1-3H3,(H,25,27)
InChIKeyBLVUPTIUSUTDQH-UHFFFAOYSA-N
XLogP4.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2709372
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55780312
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 17434832
methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate
CID 30804474
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
2-[(2,5-dichlorobenzoyl)amino]-5-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]benzoic acid
CID 44513543
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55435213
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55581937
(2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide
CID 67600522
N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265291
2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55887552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 16551413) is 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)cc3C)c2)cc1.
What is the InChIKey of 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is BLVUPTIUSUTDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-14-12-15(24)4-11-21(14)25-22(27)19-13-18(9-10-20(19)23)31(28,29)26(2)16-5-7-17(30-3)8-6-16/h4-13H,1-3H3,(H,25,27).
What are the key properties of 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 462.93 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 16551413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).