N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide

C21H17ClF2N2O3S — CID 4125899

IUPACN-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C21H17ClF2N2O3S/c22-15-6-9-20(19(24)12-15)26-21(27)17-13-16(7-8-18(17)23)30(28,29)25-11-10-14-4-2-1-3-5-14/h1-9,12-13,25H,10-11H2,(H,26,27)
InChIKeyYBKHCXWKPIUNAY-UHFFFAOYSA-N
MW450.89 g/mol
LogP4.39
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide

N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide (PubChem CID 4125899) has the molecular formula C21H17ClF2N2O3S and a molecular weight of 450.89 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
PubChem CID4125899
Molecular FormulaC21H17ClF2N2O3S
Molecular Weight450.89 g/mol
Exact Mass450.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C21H17ClF2N2O3S/c22-15-6-9-20(19(24)12-15)26-21(27)17-13-16(7-8-18(17)23)30(28,29)25-11-10-14-4-2-1-3-5-14/h1-9,12-13,25H,10-11H2,(H,26,27)
InChIKeyYBKHCXWKPIUNAY-UHFFFAOYSA-N
XLogP4.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.89
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 3348242
N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 15994437
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
CID 5070664
N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
CID 4611034
N-(2,5-dimethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4609696
2-fluoro-N-[2-fluoro-4-(3-hydroxypropylsulfamoyl)phenyl]benzamide
CID 18893237
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
2,4-dichloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18893079
2,4-dichloro-N-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]benzamide
CID 18893075
2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide
CID 18893027
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide (CID 4125899) is N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide is O=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The InChIKey is YBKHCXWKPIUNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O3S/c22-15-6-9-20(19(24)12-15)26-21(27)17-13-16(7-8-18(17)23)30(28,29)25-11-10-14-4-2-1-3-5-14/h1-9,12-13,25H,10-11H2,(H,26,27).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide has a molecular weight of 450.89 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 4125899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).