2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide

C12H17Br2NO2S — CID 54922280

IUPAC2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO2S/c1-4-9(2)8-15(3)18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9H,4,8H2,1-3H3
InChIKeyDYIBQXAVWFVIPL-UHFFFAOYSA-N
MW399.15 g/mol
LogP3.88
Rot. Bonds5

About 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide

2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 54922280) has the molecular formula C12H17Br2NO2S and a molecular weight of 399.15 g/mol. Its IUPAC name is 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID54922280
Molecular FormulaC12H17Br2NO2S
Molecular Weight399.15 g/mol
Exact Mass396.93
IUPAC Name2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO2S/c1-4-9(2)8-15(3)18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9H,4,8H2,1-3H3
InChIKeyDYIBQXAVWFVIPL-UHFFFAOYSA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333139
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295470
N-(3-amino-2-methylpropyl)-5-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 115272371
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79472642
2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide
CID 61061226
5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62143796
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 103644791
2-amino-N-methyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62143776

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide (CID 54922280) is 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(C)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is DYIBQXAVWFVIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO2S/c1-4-9(2)8-15(3)18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 399.15 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 54922280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).