4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide

C11H14BrCl2NO2S — CID 30325680

IUPAC4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO2S/c1-4-11(2,3)15-18(16,17)10-8(13)5-7(12)6-9(10)14/h5-6,15H,4H2,1-3H3
InChIKeyRKAJRIXGSKHYRH-UHFFFAOYSA-N
MW375.12 g/mol
LogP4.22
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 30325680) has the molecular formula C11H14BrCl2NO2S and a molecular weight of 375.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID30325680
Molecular FormulaC11H14BrCl2NO2S
Molecular Weight375.12 g/mol
Exact Mass372.93
IUPAC Name4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO2S/c1-4-11(2,3)15-18(16,17)10-8(13)5-7(12)6-9(10)14/h5-6,15H,4H2,1-3H3
InChIKeyRKAJRIXGSKHYRH-UHFFFAOYSA-N
XLogP4.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.12
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 30325680) is 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is RKAJRIXGSKHYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO2S/c1-4-11(2,3)15-18(16,17)10-8(13)5-7(12)6-9(10)14/h5-6,15H,4H2,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 375.12 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 30325680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).