N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide

C22H20ClFN2O3S — CID 15994437

IUPACN-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C22H20ClFN2O3S/c1-15-19(23)8-5-9-21(15)26-22(27)18-14-17(10-11-20(18)24)30(28,29)25-13-12-16-6-3-2-4-7-16/h2-11,14,25H,12-13H2,1H3,(H,26,27)
InChIKeyNOXKJTCJMSILRA-UHFFFAOYSA-N
MW446.93 g/mol
LogP4.56
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide

N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide (PubChem CID 15994437) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
PubChem CID15994437
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C22H20ClFN2O3S/c1-15-19(23)8-5-9-21(15)26-22(27)18-14-17(10-11-20(18)24)30(28,29)25-13-12-16-6-3-2-4-7-16/h2-11,14,25H,12-13H2,1H3,(H,26,27)
InChIKeyNOXKJTCJMSILRA-UHFFFAOYSA-N
XLogP4.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4125899
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
CID 5070664
N-(3-chlorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 3348242
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142552
N-(2,5-dimethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4609696
N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
CID 4611034
N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 3452162
N-(3-chloro-2-methylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297779
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
CID 4136787

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide (CID 15994437) is N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide is Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The InChIKey is NOXKJTCJMSILRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-15-19(23)8-5-9-21(15)26-22(27)18-14-17(10-11-20(18)24)30(28,29)25-13-12-16-6-3-2-4-7-16/h2-11,14,25H,12-13H2,1H3,(H,26,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide has a molecular weight of 446.93 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 15994437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).