N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide

C15H10F4N2O4S — CID 3973664

IUPACN-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C15H10F4N2O4S/c16-8-4-3-5-9(17)12(8)13(22)21-15(23)20-10-6-1-2-7-11(10)26(24,25)14(18)19/h1-7,14H,(H2,20,21,22,23)
InChIKeyLTAPUDXMECZIFJ-UHFFFAOYSA-N
MW390.31 g/mol
LogP2.92
Rot. Bonds4

About N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 3973664) has the molecular formula C15H10F4N2O4S and a molecular weight of 390.31 g/mol. Its IUPAC name is N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID3973664
Molecular FormulaC15H10F4N2O4S
Molecular Weight390.31 g/mol
Exact Mass390.03
IUPAC NameN-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C15H10F4N2O4S/c16-8-4-3-5-9(17)12(8)13(22)21-15(23)20-10-6-1-2-7-11(10)26(24,25)14(18)19/h1-7,14H,(H2,20,21,22,23)
InChIKeyLTAPUDXMECZIFJ-UHFFFAOYSA-N
XLogP2.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide
CID 55388311
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 8916691
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
3,4-dichloro-N-[2-(difluoromethylsulfonyl)phenyl]benzamide
CID 8916740
N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
CID 60703571
N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
CID 115593870

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide (CID 3973664) is N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is LTAPUDXMECZIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O4S/c16-8-4-3-5-9(17)12(8)13(22)21-15(23)20-10-6-1-2-7-11(10)26(24,25)14(18)19/h1-7,14H,(H2,20,21,22,23).
What are the key properties of N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 390.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 3973664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).