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

C11H14BrCl2NO2S — CID 42999395

IUPAC4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO2S/c1-6(2)7(3)15-18(16,17)11-9(13)4-8(12)5-10(11)14/h4-7,15H,1-3H3
InChIKeyDPGHNXPDIFFMIM-UHFFFAOYSA-N
MW375.12 g/mol
LogP4.08
Rot. Bonds4

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

4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 42999395) has the molecular formula C11H14BrCl2NO2S and a molecular weight of 375.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID42999395
Molecular FormulaC11H14BrCl2NO2S
Molecular Weight375.12 g/mol
Exact Mass372.93
IUPAC Name4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO2S/c1-6(2)7(3)15-18(16,17)11-9(13)4-8(12)5-10(11)14/h4-7,15H,1-3H3
InChIKeyDPGHNXPDIFFMIM-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-ethylbenzene-1-sulfonamide
CID 43212846
4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
CID 31847068
4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide
CID 34116593
4-bromo-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 75399105
4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
CID 93302282
4-bromo-2,6-dichloro-N-ethylbenzene-1-sulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643619
4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61216962
4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384513
4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 63227828
4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 63227872
4-bromo-2-chloro-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 79040165

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 42999395) is 4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is DPGHNXPDIFFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO2S/c1-6(2)7(3)15-18(16,17)11-9(13)4-8(12)5-10(11)14/h4-7,15H,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 375.12 g/mol, XLogP of 4.08, 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-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 42999395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).