N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide

C21H17ClF2N2O4S — CID 4079781

IUPACN-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C21H17ClF2N2O4S/c1-30-20-9-4-14(22)10-19(20)26-21(27)17-11-16(7-8-18(17)24)31(28,29)25-12-13-2-5-15(23)6-3-13/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyFAJDZACMYWYWTF-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.36
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide

N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide (PubChem CID 4079781) has the molecular formula C21H17ClF2N2O4S and a molecular weight of 466.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
PubChem CID4079781
Molecular FormulaC21H17ClF2N2O4S
Molecular Weight466.89 g/mol
Exact Mass466.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C21H17ClF2N2O4S/c1-30-20-9-4-14(22)10-19(20)26-21(27)17-11-16(7-8-18(17)24)31(28,29)25-12-13-2-5-15(23)6-3-13/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyFAJDZACMYWYWTF-UHFFFAOYSA-N
XLogP4.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
CID 4611034
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
CID 5213752
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 5001901
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 3255952
N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
CID 5070664
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide (CID 4079781) is N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide is COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide?
The InChIKey is FAJDZACMYWYWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O4S/c1-30-20-9-4-14(22)10-19(20)26-21(27)17-11-16(7-8-18(17)24)31(28,29)25-12-13-2-5-15(23)6-3-13/h2-11,25H,12H2,1H3,(H,26,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide?
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide has a molecular weight of 466.89 g/mol, XLogP of 4.36, 7 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)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 4079781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).