N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide

C19H13F3N2O3S — CID 55349327

IUPACN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1F
InChIInChI=1S/C19H13F3N2O3S/c20-16-4-2-1-3-15(16)19(25)23-12-5-7-13(8-6-12)24-28(26,27)14-9-10-17(21)18(22)11-14/h1-11,24H,(H,23,25)
InChIKeyOYYMEMLKWXPGRA-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.16
Rot. Bonds5

About N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide (PubChem CID 55349327) has the molecular formula C19H13F3N2O3S and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
PubChem CID55349327
Molecular FormulaC19H13F3N2O3S
Molecular Weight406.39 g/mol
Exact Mass406.06
IUPAC NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1F
InChIInChI=1S/C19H13F3N2O3S/c20-16-4-2-1-3-15(16)19(25)23-12-5-7-13(8-6-12)24-28(26,27)14-9-10-17(21)18(22)11-14/h1-11,24H,(H,23,25)
InChIKeyOYYMEMLKWXPGRA-UHFFFAOYSA-N
XLogP4.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide
CID 55376849
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 18893279
2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 31582051
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
CID 167860654
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55379359
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55533116

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide (CID 55349327) is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide is O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1F.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide?
The InChIKey is OYYMEMLKWXPGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3S/c20-16-4-2-1-3-15(16)19(25)23-12-5-7-13(8-6-12)24-28(26,27)14-9-10-17(21)18(22)11-14/h1-11,24H,(H,23,25).
What are the key properties of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide?
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide has a molecular weight of 406.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 55349327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).