2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

C22H19ClF2N2O3S — CID 34315456

IUPAC2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)cc1F
InChIInChI=1S/C22H19ClF2N2O3S/c1-14-3-4-15(11-21(14)25)13-26-22(28)19-12-18(9-10-20(19)23)31(29,30)27(2)17-7-5-16(24)6-8-17/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyXZOJOBHLRRKOKM-UHFFFAOYSA-N
MW464.92 g/mol
LogP4.68
Rot. Bonds6

About 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (PubChem CID 34315456) has the molecular formula C22H19ClF2N2O3S and a molecular weight of 464.92 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
PubChem CID34315456
Molecular FormulaC22H19ClF2N2O3S
Molecular Weight464.92 g/mol
Exact Mass464.08
IUPAC Name2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)cc1F
InChIInChI=1S/C22H19ClF2N2O3S/c1-14-3-4-15(11-21(14)25)13-26-22(28)19-12-18(9-10-20(19)23)31(29,30)27(2)17-7-5-16(24)6-8-17/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyXZOJOBHLRRKOKM-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.92
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
CID 27659841
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
2-chloro-N-[2-(cyclohexanecarbonylamino)ethyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55805861
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55780312
methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 2334810
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2435577
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 55471264
2-chloro-N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 27256751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (CID 34315456) is 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)cc1F.
What is the InChIKey of 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The InChIKey is XZOJOBHLRRKOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O3S/c1-14-3-4-15(11-21(14)25)13-26-22(28)19-12-18(9-10-20(19)23)31(29,30)27(2)17-7-5-16(24)6-8-17/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide has a molecular weight of 464.92 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 34315456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).