2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide

C12H16Br2N2O3S — CID 80708114

IUPAC2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1cc(Br)c(S(=O)(=O)NC(C)C(=O)N(C)C)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-7-5-10(14)11(6-9(7)13)20(18,19)15-8(2)12(17)16(3)4/h5-6,8,15H,1-4H3
InChIKeyDZWQNEXGCUTXBM-UHFFFAOYSA-N
MW428.15 g/mol
LogP2.28
Rot. Bonds4

About 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide

2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 80708114) has the molecular formula C12H16Br2N2O3S and a molecular weight of 428.15 g/mol. Its IUPAC name is 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID80708114
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC Name2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1cc(Br)c(S(=O)(=O)NC(C)C(=O)N(C)C)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-7-5-10(14)11(6-9(7)13)20(18,19)15-8(2)12(17)16(3)4/h5-6,8,15H,1-4H3
InChIKeyDZWQNEXGCUTXBM-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]propanoate
CID 81327925
2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304785
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 80708583
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636
2,5-dibromo-N-(4-hydroxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 113318357
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596
2,5-dibromo-N-but-3-en-2-yl-4-methylbenzenesulfonamide
CID 115698660
(2R)-2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]butanoic acid
CID 81327907
2,5-dibromo-N-[2-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 80708425
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 104981937
2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864152
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 43577463

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 80708114) is 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide is Cc1cc(Br)c(S(=O)(=O)NC(C)C(=O)N(C)C)cc1Br.
What is the InChIKey of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is DZWQNEXGCUTXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c1-7-5-10(14)11(6-9(7)13)20(18,19)15-8(2)12(17)16(3)4/h5-6,8,15H,1-4H3.
What are the key properties of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 428.15 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80708114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).