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

C19H12F4N2O3S — CID 24636502

IUPACN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H12F4N2O3S/c20-11-1-7-15(17(22)9-11)19(26)24-12-2-4-13(5-3-12)25-29(27,28)14-6-8-16(21)18(23)10-14/h1-10,25H,(H,24,26)
InChIKeyRJLTUAJFQPOWJU-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.30
Rot. Bonds5

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

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide (PubChem CID 24636502) 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]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
PubChem CID24636502
Molecular FormulaC19H12F4N2O3S
Molecular Weight424.38 g/mol
Exact Mass424.05
IUPAC NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H12F4N2O3S/c20-11-1-7-15(17(22)9-11)19(26)24-12-2-4-13(5-3-12)25-29(27,28)14-6-8-16(21)18(23)10-14/h1-10,25H,(H,24,26)
InChIKeyRJLTUAJFQPOWJU-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide (CID 24636502) is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide is O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide?
The InChIKey is RJLTUAJFQPOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2O3S/c20-11-1-7-15(17(22)9-11)19(26)24-12-2-4-13(5-3-12)25-29(27,28)14-6-8-16(21)18(23)10-14/h1-10,25H,(H,24,26).
What are the key properties of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide?
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-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]-2,4-difluorobenzamide is sourced from PubChem (CID 24636502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).