4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide

C10H12BrCl2NO2S — CID 26948077

IUPAC4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO2S/c1-6(2)5-14-17(15,16)10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyKZTMJUTYDYAELG-UHFFFAOYSA-N
MW361.09 g/mol
LogP3.69
Rot. Bonds4

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

4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 26948077) has the molecular formula C10H12BrCl2NO2S and a molecular weight of 361.09 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID26948077
Molecular FormulaC10H12BrCl2NO2S
Molecular Weight361.09 g/mol
Exact Mass358.91
IUPAC Name4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO2S/c1-6(2)5-14-17(15,16)10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyKZTMJUTYDYAELG-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.09
LogP ≤ 53.69
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-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide (CID 26948077) is 4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is KZTMJUTYDYAELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO2S/c1-6(2)5-14-17(15,16)10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 361.09 g/mol, XLogP of 3.69, 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-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 26948077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).