2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide

C11H15Br2NO3S — CID 64557229

IUPAC2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO3S/c1-3-11(2,7-15)14-18(16,17)10-5-4-8(12)6-9(10)13/h4-6,14-15H,3,7H2,1-2H3
InChIKeyLWGQFFMGOOBKEE-UHFFFAOYSA-N
MW401.12 g/mol
LogP2.65
Rot. Bonds5

About 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide

2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 64557229) has the molecular formula C11H15Br2NO3S and a molecular weight of 401.12 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
PubChem CID64557229
Molecular FormulaC11H15Br2NO3S
Molecular Weight401.12 g/mol
Exact Mass398.91
IUPAC Name2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO3S/c1-3-11(2,7-15)14-18(16,17)10-5-4-8(12)6-9(10)13/h4-6,14-15H,3,7H2,1-2H3
InChIKeyLWGQFFMGOOBKEE-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.12
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
CID 64557804
2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
CID 60824677
4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 64557435
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64557037
3-bromo-4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]benzoic acid
CID 62518923
2-amino-4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 107864437
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide
CID 115310737
2-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54922007
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64550339
2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 104920704

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide (CID 64557229) is 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(CO)NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is LWGQFFMGOOBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3S/c1-3-11(2,7-15)14-18(16,17)10-5-4-8(12)6-9(10)13/h4-6,14-15H,3,7H2,1-2H3.
What are the key properties of 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 401.12 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 64557229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).