2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide

C11H14Br2N2O3S — CID 47304785

IUPAC2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)N(C)C
InChIInChI=1S/C11H14Br2N2O3S/c1-7(11(16)15(2)3)14-19(17,18)10-5-4-8(12)6-9(10)13/h4-7,14H,1-3H3
InChIKeyAABCGGRUHIOTJI-UHFFFAOYSA-N
MW414.12 g/mol
LogP1.97
Rot. Bonds4

About 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide

2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 47304785) has the molecular formula C11H14Br2N2O3S and a molecular weight of 414.12 g/mol. Its IUPAC name is 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID47304785
Molecular FormulaC11H14Br2N2O3S
Molecular Weight414.12 g/mol
Exact Mass411.91
IUPAC Name2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)N(C)C
InChIInChI=1S/C11H14Br2N2O3S/c1-7(11(16)15(2)3)14-19(17,18)10-5-4-8(12)6-9(10)13/h4-7,14H,1-3H3
InChIKeyAABCGGRUHIOTJI-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 80708114
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 43577463
(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927043
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 103077310
(2R)-2-[(5-bromo-2-methylphenyl)sulfonylamino]propanoic acid
CID 54991350
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048629
2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide
CID 54889044

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 47304785) is 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide is CC(NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)N(C)C.
What is the InChIKey of 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is AABCGGRUHIOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O3S/c1-7(11(16)15(2)3)14-19(17,18)10-5-4-8(12)6-9(10)13/h4-7,14H,1-3H3.
What are the key properties of 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide?
2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 414.12 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 47304785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).