3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide

C11H14Br2N2O3S — CID 103644791

IUPAC3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O3S/c1-14-11(16)5-6-15(2)19(17,18)10-4-3-8(12)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyMBYQWILYLONETB-UHFFFAOYSA-N
MW414.12 g/mol
LogP1.97
Rot. Bonds5

About 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide

3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide (PubChem CID 103644791) has the molecular formula C11H14Br2N2O3S and a molecular weight of 414.12 g/mol. Its IUPAC name is 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
PubChem CID103644791
Molecular FormulaC11H14Br2N2O3S
Molecular Weight414.12 g/mol
Exact Mass411.91
IUPAC Name3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O3S/c1-14-11(16)5-6-15(2)19(17,18)10-4-3-8(12)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyMBYQWILYLONETB-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 113230949
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333139
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
3-[(2,5-dibromophenyl)sulfonyl-methylamino]propanethioamide
CID 43120155
3-[(5-amino-4-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106914002
4-methyl-3-[methyl-[3-(methylamino)-3-oxopropyl]sulfamoyl]benzoic acid
CID 104654629
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
3-[(2-bromophenyl)sulfonyl-methylamino]propanoic acid
CID 60990026
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
methyl 4-[(2-amino-4-bromophenyl)sulfonyl-methylamino]butanoate
CID 61105145
methyl 4-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]butanoate
CID 60715415

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide (CID 103644791) is 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide?
The InChIKey is MBYQWILYLONETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O3S/c1-14-11(16)5-6-15(2)19(17,18)10-4-3-8(12)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide?
3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide has a molecular weight of 414.12 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 103644791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).