N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide

C19H12F4N2O3S — CID 55376849

IUPACN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C19H12F4N2O3S/c20-11-1-7-16(21)15(9-11)19(26)24-12-2-4-13(5-3-12)25-29(27,28)14-6-8-17(22)18(23)10-14/h1-10,25H,(H,24,26)
InChIKeyMHIAGFXNEDQDNX-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.30
Rot. Bonds5

About N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide (PubChem CID 55376849) has the molecular formula C19H12F4N2O3S and a molecular weight of 424.38 g/mol. Its IUPAC name is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide
PubChem CID55376849
Molecular FormulaC19H12F4N2O3S
Molecular Weight424.38 g/mol
Exact Mass424.05
IUPAC NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C19H12F4N2O3S/c20-11-1-7-16(21)15(9-11)19(26)24-12-2-4-13(5-3-12)25-29(27,28)14-6-8-17(22)18(23)10-14/h1-10,25H,(H,24,26)
InChIKeyMHIAGFXNEDQDNX-UHFFFAOYSA-N
XLogP4.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
CID 167860654
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55533116
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 31582051
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide?
The IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide (CID 55376849) is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide is O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(F)ccc1F.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide?
The InChIKey is MHIAGFXNEDQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2O3S/c20-11-1-7-16(21)15(9-11)19(26)24-12-2-4-13(5-3-12)25-29(27,28)14-6-8-17(22)18(23)10-14/h1-10,25H,(H,24,26).
What are the key properties of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide?
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide has a molecular weight of 424.38 g/mol, XLogP of 4.30, 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]-2,5-difluorobenzamide is sourced from PubChem (CID 55376849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).