N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide

C20H16ClFN2O3S — CID 2711755

IUPACN-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C20H16ClFN2O3S/c1-24(16-7-3-2-4-8-16)28(26,27)17-9-5-6-14(12-17)20(25)23-19-11-10-15(21)13-18(19)22/h2-13H,1H3,(H,23,25)
InChIKeyDKYMOJHWGLWXND-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.56
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide

N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2711755) has the molecular formula C20H16ClFN2O3S and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2711755
Molecular FormulaC20H16ClFN2O3S
Molecular Weight418.88 g/mol
Exact Mass418.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C20H16ClFN2O3S/c1-24(16-7-3-2-4-8-16)28(26,27)17-9-5-6-14(12-17)20(25)23-19-11-10-15(21)13-18(19)22/h2-13H,1H3,(H,23,25)
InChIKeyDKYMOJHWGLWXND-UHFFFAOYSA-N
XLogP4.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 42991866
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
N-(2,5-difluorophenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2711426
N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2711561
N-(2,4-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2709362
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4653870
6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid
CID 86729965
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
N-(2,5-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46797680
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide
CID 10416149

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide (CID 2711755) is N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2F)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is DKYMOJHWGLWXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3S/c1-24(16-7-3-2-4-8-16)28(26,27)17-9-5-6-14(12-17)20(25)23-19-11-10-15(21)13-18(19)22/h2-13H,1H3,(H,23,25).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2711755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).