N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide

C22H19Cl2FN2O4S — CID 4611034

IUPACN-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C22H19Cl2FN2O4S/c1-31-21-9-6-16(24)12-20(21)27-22(28)18-13-17(7-8-19(18)25)32(29,30)26-11-10-14-2-4-15(23)5-3-14/h2-9,12-13,26H,10-11H2,1H3,(H,27,28)
InChIKeyKBXAOKUSITVIAP-UHFFFAOYSA-N
MW497.38 g/mol
LogP4.91
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide

N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide (PubChem CID 4611034) has the molecular formula C22H19Cl2FN2O4S and a molecular weight of 497.38 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
PubChem CID4611034
Molecular FormulaC22H19Cl2FN2O4S
Molecular Weight497.38 g/mol
Exact Mass496.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C22H19Cl2FN2O4S/c1-31-21-9-6-16(24)12-20(21)27-22(28)18-13-17(7-8-19(18)25)32(29,30)26-11-10-14-2-4-15(23)5-3-14/h2-9,12-13,26H,10-11H2,1H3,(H,27,28)
InChIKeyKBXAOKUSITVIAP-UHFFFAOYSA-N
XLogP4.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.38
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
N-(2,5-dimethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4609696
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
CID 5070664
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4125899
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26582388
N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 15994437
N-(3-chlorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 3348242
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
CID 5213752
N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide (CID 4611034) is N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide is COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)ccc1F.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide?
The InChIKey is KBXAOKUSITVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O4S/c1-31-21-9-6-16(24)12-20(21)27-22(28)18-13-17(7-8-19(18)25)32(29,30)26-11-10-14-2-4-15(23)5-3-14/h2-9,12-13,26H,10-11H2,1H3,(H,27,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide?
N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide has a molecular weight of 497.38 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide is sourced from PubChem (CID 4611034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).