2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide

C21H18ClFN2O3S — CID 78852465

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-25(17-8-3-2-4-9-17)29(27,28)18-10-11-20(22)19(13-18)21(26)24-14-15-6-5-7-16(23)12-15/h2-13H,14H2,1H3,(H,24,26)
InChIKeyIFFKMLNBZTXZJF-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.23
Rot. Bonds6

About 2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide

2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 78852465) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID78852465
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-25(17-8-3-2-4-9-17)29(27,28)18-10-11-20(22)19(13-18)21(26)24-14-15-6-5-7-16(23)12-15/h2-13H,14H2,1H3,(H,24,26)
InChIKeyIFFKMLNBZTXZJF-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 2334810
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 34315456
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
CID 53283727
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
CID 27659841
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
CID 78843267
2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 30839055
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78816525
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283027
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 78794689

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide (CID 78852465) is 2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is IFFKMLNBZTXZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-25(17-8-3-2-4-9-17)29(27,28)18-10-11-20(22)19(13-18)21(26)24-14-15-6-5-7-16(23)12-15/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 432.90 g/mol, XLogP of 4.23, 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-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 78852465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).