2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide

C11H15Br2NO3S2 — CID 115710348

IUPAC2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide
SMILESCC(CCNS(=O)(=O)c1ccc(Br)cc1Br)S(C)=O
InChIInChI=1S/C11H15Br2NO3S2/c1-8(18(2)15)5-6-14-19(16,17)11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyTUNSWVUHBRVMBO-UHFFFAOYSA-N
MW433.19 g/mol
LogP2.65
Rot. Bonds6

About 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide

2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide (PubChem CID 115710348) has the molecular formula C11H15Br2NO3S2 and a molecular weight of 433.19 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide
PubChem CID115710348
Molecular FormulaC11H15Br2NO3S2
Molecular Weight433.19 g/mol
Exact Mass430.89
IUPAC Name2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide
SMILESCC(CCNS(=O)(=O)c1ccc(Br)cc1Br)S(C)=O
InChIInChI=1S/C11H15Br2NO3S2/c1-8(18(2)15)5-6-14-19(16,17)11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyTUNSWVUHBRVMBO-UHFFFAOYSA-N
XLogP2.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide
CID 113236203
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
4-amino-2-bromo-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479659
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180968
(3R)-N-[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]-3-[(S)-methylsulfinyl]butan-1-amine
CID 99577329
5-bromo-N-(2-methylsulfinylpropyl)-2-nitrobenzenesulfonamide
CID 115763706
2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
CID 113498030

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide (CID 115710348) is 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide is CC(CCNS(=O)(=O)c1ccc(Br)cc1Br)S(C)=O.
What is the InChIKey of 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide?
The InChIKey is TUNSWVUHBRVMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3S2/c1-8(18(2)15)5-6-14-19(16,17)11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide?
2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide has a molecular weight of 433.19 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide is sourced from PubChem (CID 115710348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).