2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide

C8H11Br2NO3S2 — CID 106843930

IUPAC2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCCO)c1cc(Br)sc1Br
InChIInChI=1S/C8H11Br2NO3S2/c9-7-5-6(8(10)15-7)16(13,14)11-3-1-2-4-12/h5,11-12H,1-4H2
InChIKeyGFPXXOAMCDCASS-UHFFFAOYSA-N
MW393.12 g/mol
LogP2.32
Rot. Bonds6

About 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide

2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide (PubChem CID 106843930) has the molecular formula C8H11Br2NO3S2 and a molecular weight of 393.12 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
PubChem CID106843930
Molecular FormulaC8H11Br2NO3S2
Molecular Weight393.12 g/mol
Exact Mass390.85
IUPAC Name2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCCO)c1cc(Br)sc1Br
InChIInChI=1S/C8H11Br2NO3S2/c9-7-5-6(8(10)15-7)16(13,14)11-3-1-2-4-12/h5,11-12H,1-4H2
InChIKeyGFPXXOAMCDCASS-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[(2,5-dibromothiophen-3-yl)sulfonylamino]hexanoate
CID 43405597
2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966
2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide
CID 43598645
methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoate
CID 60652067
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide
CID 65113447
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
5-bromo-4-[3-(2-hydroxyethoxy)propylsulfamoyl]thiophene-2-carboxylic acid
CID 106305253
2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
CID 115613434
methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate
CID 37476569
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231462

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide (CID 106843930) is 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide is O=S(=O)(NCCCCO)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide?
The InChIKey is GFPXXOAMCDCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2NO3S2/c9-7-5-6(8(10)15-7)16(13,14)11-3-1-2-4-12/h5,11-12H,1-4H2.
What are the key properties of 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide?
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide has a molecular weight of 393.12 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106843930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).