4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide

C10H12Br3NO3S — CID 114134333

IUPAC4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCO)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H12Br3NO3S/c11-7-5-8(12)10(9(13)6-7)14-18(16,17)4-2-1-3-15/h5-6,14-15H,1-4H2
InChIKeySPPPKCGPFBISPI-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.49
Rot. Bonds6

About 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide

4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide (PubChem CID 114134333) has the molecular formula C10H12Br3NO3S and a molecular weight of 465.99 g/mol. Its IUPAC name is 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
PubChem CID114134333
Molecular FormulaC10H12Br3NO3S
Molecular Weight465.99 g/mol
Exact Mass462.81
IUPAC Name4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCO)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H12Br3NO3S/c11-7-5-8(12)10(9(13)6-7)14-18(16,17)4-2-1-3-15/h5-6,14-15H,1-4H2
InChIKeySPPPKCGPFBISPI-UHFFFAOYSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid
CID 28991675
3-(propylamino)-N-(2,4,6-tribromophenyl)propane-1-sulfonamide
CID 106002412
N-(4-bromo-3,5-dimethylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114135739
N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide
CID 114135993
4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide
CID 116814857
N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide
CID 60640320
4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
CID 107602655
N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94717956
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644
3,5-dibromo-2-(2-methoxyethylsulfonylamino)benzoic acid
CID 63111807
3,5-dibromo-2-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoic acid
CID 63111808

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide (CID 114134333) is 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide is O=S(=O)(CCCCO)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide?
The InChIKey is SPPPKCGPFBISPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br3NO3S/c11-7-5-8(12)10(9(13)6-7)14-18(16,17)4-2-1-3-15/h5-6,14-15H,1-4H2.
What are the key properties of 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide?
4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide has a molecular weight of 465.99 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide is sourced from PubChem (CID 114134333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).