N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide

C15H11F4NO3S — CID 42962648

IUPACN-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H11F4NO3S/c1-8(15(21)20-13-6-9(16)2-4-11(13)18)24(22,23)14-7-10(17)3-5-12(14)19/h2-8H,1H3,(H,20,21)
InChIKeyKFOJJJDJMRPULI-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.04
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide

N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide (PubChem CID 42962648) has the molecular formula C15H11F4NO3S and a molecular weight of 361.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide
PubChem CID42962648
Molecular FormulaC15H11F4NO3S
Molecular Weight361.32 g/mol
Exact Mass361.04
IUPAC NameN-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H11F4NO3S/c1-8(15(21)20-13-6-9(16)2-4-11(13)18)24(22,23)14-7-10(17)3-5-12(14)19/h2-8H,1H3,(H,20,21)
InChIKeyKFOJJJDJMRPULI-UHFFFAOYSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,5-difluorophenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274967
2-(2-fluorophenyl)sulfonyl-N-(2-methylphenyl)propanamide
CID 86992971
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 46619918
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976581
2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
CID 43024778
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide
CID 70819782
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 8979230

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide (CID 42962648) is N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide is CC(C(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide?
The InChIKey is KFOJJJDJMRPULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO3S/c1-8(15(21)20-13-6-9(16)2-4-11(13)18)24(22,23)14-7-10(17)3-5-12(14)19/h2-8H,1H3,(H,20,21).
What are the key properties of N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide?
N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide has a molecular weight of 361.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 42962648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).