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

C12H16Br2N2O3S — CID 80708583

IUPAC2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-4-15-12(17)8(3)16-20(18,19)11-6-9(13)7(2)5-10(11)14/h5-6,8,16H,4H2,1-3H3,(H,15,17)
InChIKeyCXSHWXUCQZOMES-UHFFFAOYSA-N
MW428.15 g/mol
LogP2.32
Rot. Bonds5

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

2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 80708583) 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-ethylpropanamide.

Molecular Properties

Compound Name2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID80708583
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC Name2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-4-15-12(17)8(3)16-20(18,19)11-6-9(13)7(2)5-10(11)14/h5-6,8,16H,4H2,1-3H3,(H,15,17)
InChIKeyCXSHWXUCQZOMES-UHFFFAOYSA-N
XLogP2.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9190128
methyl 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]propanoate
CID 81327925
(2R)-2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]butanoic acid
CID 81327907
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 80708114
(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 94812873
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 104981937
2,5-dibromo-N-(4-hydroxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 113318357
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 81396931
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
(2S)-2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 81319444

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide (CID 80708583) is 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is CXSHWXUCQZOMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c1-4-15-12(17)8(3)16-20(18,19)11-6-9(13)7(2)5-10(11)14/h5-6,8,16H,4H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide?
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 428.15 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 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-ethylpropanamide is sourced from PubChem (CID 80708583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).