2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide

C11H15Br2NO2S — CID 50876814

IUPAC2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(Br)cc1Br
InChIInChI=1S/C11H15Br2NO2S/c1-4-14(5-2)17(15,16)11-6-8(3)9(12)7-10(11)13/h6-7H,4-5H2,1-3H3
InChIKeyXGQQPCUUVGETDD-UHFFFAOYSA-N
MW385.12 g/mol
LogP3.55
Rot. Bonds4

About 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide

2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide (PubChem CID 50876814) has the molecular formula C11H15Br2NO2S and a molecular weight of 385.12 g/mol. Its IUPAC name is 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide
PubChem CID50876814
Molecular FormulaC11H15Br2NO2S
Molecular Weight385.12 g/mol
Exact Mass382.92
IUPAC Name2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(Br)cc1Br
InChIInChI=1S/C11H15Br2NO2S/c1-4-14(5-2)17(15,16)11-6-8(3)9(12)7-10(11)13/h6-7H,4-5H2,1-3H3
InChIKeyXGQQPCUUVGETDD-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.12
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-5-(diethylsulfamoyl)benzoic acid
CID 20506124
2,5-dibromo-N-(2-cyanoethyl)-N-ethyl-4-methylbenzenesulfonamide
CID 80708752
2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide
CID 81435152
2,4-dibromo-5-methylbenzenesulfonyl chloride
CID 171002124
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 103768572
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
4-bromo-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54941900
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide (CID 50876814) is 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide?
The InChIKey is XGQQPCUUVGETDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S/c1-4-14(5-2)17(15,16)11-6-8(3)9(12)7-10(11)13/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide?
2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide has a molecular weight of 385.12 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide is sourced from PubChem (CID 50876814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).