2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide

C11H16Br2N2O2S — CID 63700203

IUPAC2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-14(2)6-7-15(3)18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7H2,1-3H3
InChIKeyYJCCAERMEMZFOA-UHFFFAOYSA-N
MW400.14 g/mol
LogP2.39
Rot. Bonds5

About 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide

2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide (PubChem CID 63700203) has the molecular formula C11H16Br2N2O2S and a molecular weight of 400.14 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
PubChem CID63700203
Molecular FormulaC11H16Br2N2O2S
Molecular Weight400.14 g/mol
Exact Mass397.93
IUPAC Name2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-14(2)6-7-15(3)18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7H2,1-3H3
InChIKeyYJCCAERMEMZFOA-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
3-[(2,5-dibromophenyl)sulfonyl-methylamino]propanethioamide
CID 43120155
2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 21404251
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697
2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 61060458
2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide
CID 66619434
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
3-bromo-5-[2-(dimethylamino)ethyl-methylsulfamoyl]-4-methylbenzoic acid
CID 81479863
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 63727213

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide (CID 63700203) is 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide is CN(C)CCN(C)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is YJCCAERMEMZFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S/c1-14(2)6-7-15(3)18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 400.14 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 63700203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).