2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide

C15H13BrF2N2O3S — CID 3652587

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H13BrF2N2O3S/c1-9(15(21)19-14-12(17)3-2-4-13(14)18)20-24(22,23)11-7-5-10(16)6-8-11/h2-9,20H,1H3,(H,19,21)
InChIKeyDHMAAMIJXVVQPU-UHFFFAOYSA-N
MW419.25 g/mol
LogP3.03
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide

2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide (PubChem CID 3652587) has the molecular formula C15H13BrF2N2O3S and a molecular weight of 419.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
PubChem CID3652587
Molecular FormulaC15H13BrF2N2O3S
Molecular Weight419.25 g/mol
Exact Mass417.98
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H13BrF2N2O3S/c1-9(15(21)19-14-12(17)3-2-4-13(14)18)20-24(22,23)11-7-5-10(16)6-8-11/h2-9,20H,1H3,(H,19,21)
InChIKeyDHMAAMIJXVVQPU-UHFFFAOYSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 4657987
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330822
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330824
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 42561544

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide (CID 3652587) is 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide is CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide?
The InChIKey is DHMAAMIJXVVQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O3S/c1-9(15(21)19-14-12(17)3-2-4-13(14)18)20-24(22,23)11-7-5-10(16)6-8-11/h2-9,20H,1H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide has a molecular weight of 419.25 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 3652587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).