2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide

C9H13Br2NO3S2 — CID 65113447

IUPAC2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H13Br2NO3S2/c1-3-9(2,13)5-12-17(14,15)6-4-7(10)16-8(6)11/h4,12-13H,3,5H2,1-2H3
InChIKeyJPFPFCFEQMBBMP-UHFFFAOYSA-N
MW407.15 g/mol
LogP2.71
Rot. Bonds5

About 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide

2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide (PubChem CID 65113447) has the molecular formula C9H13Br2NO3S2 and a molecular weight of 407.15 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide
PubChem CID65113447
Molecular FormulaC9H13Br2NO3S2
Molecular Weight407.15 g/mol
Exact Mass404.87
IUPAC Name2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H13Br2NO3S2/c1-3-9(2,13)5-12-17(14,15)6-4-7(10)16-8(6)11/h4,12-13H,3,5H2,1-2H3
InChIKeyJPFPFCFEQMBBMP-UHFFFAOYSA-N
XLogP2.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966
5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide
CID 80578090
2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
CID 115613434
2-bromo-N-(2,2-dimethylbutyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103465918
methyl 5-bromo-4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]thiophene-2-carboxylate
CID 65113005
4-[(2-hydroxy-2-methylbutyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 65105337
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
CID 106843930
methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoate
CID 60652067
5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66172242
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-2-methylthiophene-3-sulfonamide
CID 106255936
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
CID 65113216

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide (CID 65113447) is 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide is CCC(C)(O)CNS(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide?
The InChIKey is JPFPFCFEQMBBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2NO3S2/c1-3-9(2,13)5-12-17(14,15)6-4-7(10)16-8(6)11/h4,12-13H,3,5H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide?
2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide has a molecular weight of 407.15 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 65113447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).