2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

C12H17Br2NO3S — CID 65048629

IUPAC2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1ccc(Br)cc1Br)C(C)C
InChIInChI=1S/C12H17Br2NO3S/c1-8(2)11(7-18-3)15-19(16,17)12-5-4-9(13)6-10(12)14/h4-6,8,11,15H,7H2,1-3H3
InChIKeyKPIKEGUWZUFZNW-UHFFFAOYSA-N
MW415.15 g/mol
LogP3.16
Rot. Bonds6

About 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 65048629) has the molecular formula C12H17Br2NO3S and a molecular weight of 415.15 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID65048629
Molecular FormulaC12H17Br2NO3S
Molecular Weight415.15 g/mol
Exact Mass412.93
IUPAC Name2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1ccc(Br)cc1Br)C(C)C
InChIInChI=1S/C12H17Br2NO3S/c1-8(2)11(7-18-3)15-19(16,17)12-5-4-9(13)6-10(12)14/h4-6,8,11,15H,7H2,1-3H3
InChIKeyKPIKEGUWZUFZNW-UHFFFAOYSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 80707880
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65048630
5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65049698
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377
4-amino-2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248195
(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927043
2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
CID 63420862
N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 65048037
2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304785

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (CID 65048629) is 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is COCC(NS(=O)(=O)c1ccc(Br)cc1Br)C(C)C.
What is the InChIKey of 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is KPIKEGUWZUFZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO3S/c1-8(2)11(7-18-3)15-19(16,17)12-5-4-9(13)6-10(12)14/h4-6,8,11,15H,7H2,1-3H3.
What are the key properties of 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 415.15 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65048629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).