4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide

C12H16BrCl2NO3S — CID 75399105

IUPAC4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO3S/c1-11(2,12(3,4)17)16-20(18,19)10-8(14)5-7(13)6-9(10)15/h5-6,16-17H,1-4H3
InChIKeyAZPUVCKTRQMCEZ-UHFFFAOYSA-N
MW405.14 g/mol
LogP3.58
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 75399105) has the molecular formula C12H16BrCl2NO3S and a molecular weight of 405.14 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID75399105
Molecular FormulaC12H16BrCl2NO3S
Molecular Weight405.14 g/mol
Exact Mass402.94
IUPAC Name4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO3S/c1-11(2,12(3,4)17)16-20(18,19)10-8(14)5-7(13)6-9(10)15/h5-6,16-17H,1-4H3
InChIKeyAZPUVCKTRQMCEZ-UHFFFAOYSA-N
XLogP3.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.14
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide (CID 75399105) is 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide is CC(C)(O)C(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is AZPUVCKTRQMCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrCl2NO3S/c1-11(2,12(3,4)17)16-20(18,19)10-8(14)5-7(13)6-9(10)15/h5-6,16-17H,1-4H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 405.14 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 75399105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).