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

C11H14BrCl2NO2S — CID 31481482

IUPAC4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@H](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/t7-/m0/s1
InChIKeyDPGHNXPDIFFMIM-ZETCQYMHSA-N
MW375.12 g/mol
LogP4.08
Rot. Bonds4

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

4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide (PubChem CID 31481482) has the molecular formula C11H14BrCl2NO2S and a molecular weight of 375.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
PubChem CID31481482
Molecular FormulaC11H14BrCl2NO2S
Molecular Weight375.12 g/mol
Exact Mass372.93
IUPAC Name4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@H](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/t7-/m0/s1
InChIKeyDPGHNXPDIFFMIM-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide (CID 31481482) is 4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide is CC(C)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide?
The InChIKey is DPGHNXPDIFFMIM-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of 4-bromo-2,6-dichloro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[(2S)-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-[(2S)-3-methylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 31481482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).