2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide

C10H13Br2NO3S2 — CID 113236203

IUPAC2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO3S2/c1-2-17(14)6-5-13-18(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyIVUDWVDRWSDXFP-UHFFFAOYSA-N
MW419.16 g/mol
LogP2.26
Rot. Bonds6

About 2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide

2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide (PubChem CID 113236203) has the molecular formula C10H13Br2NO3S2 and a molecular weight of 419.16 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide
PubChem CID113236203
Molecular FormulaC10H13Br2NO3S2
Molecular Weight419.16 g/mol
Exact Mass416.87
IUPAC Name2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO3S2/c1-2-17(14)6-5-13-18(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyIVUDWVDRWSDXFP-UHFFFAOYSA-N
XLogP2.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide
CID 115710348
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 115748638
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 116528850
4-amino-2-bromo-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479659
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55871540
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide (CID 113236203) is 2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide is CCS(=O)CCNS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide?
The InChIKey is IVUDWVDRWSDXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO3S2/c1-2-17(14)6-5-13-18(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide?
2,4-dibromo-N-(2-ethylsulfinylethyl)benzenesulfonamide has a molecular weight of 419.16 g/mol, XLogP of 2.26, 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-(2-ethylsulfinylethyl)benzenesulfonamide is sourced from PubChem (CID 113236203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).