4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide

C11H14Br2ClNO2S — CID 116814857

IUPAC4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)CCCCCl)c(Br)c1
InChIInChI=1S/C11H14Br2ClNO2S/c1-8-6-9(12)11(10(13)7-8)15-18(16,17)5-3-2-4-14/h6-7,15H,2-5H2,1H3
InChIKeyINXHSMHSYXARIH-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.28
Rot. Bonds6

About 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide

4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide (PubChem CID 116814857) has the molecular formula C11H14Br2ClNO2S and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide
PubChem CID116814857
Molecular FormulaC11H14Br2ClNO2S
Molecular Weight419.57 g/mol
Exact Mass416.88
IUPAC Name4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)CCCCCl)c(Br)c1
InChIInChI=1S/C11H14Br2ClNO2S/c1-8-6-9(12)11(10(13)7-8)15-18(16,17)5-3-2-4-14/h6-7,15H,2-5H2,1H3
InChIKeyINXHSMHSYXARIH-UHFFFAOYSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide
CID 60640320
4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
CID 107602655
N-(2-bromo-4,6-dimethylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106072928
N-(2-bromo-4,6-dimethylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106072927
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 114134333
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide (CID 116814857) is 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)CCCCCl)c(Br)c1.
What is the InChIKey of 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide?
The InChIKey is INXHSMHSYXARIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2ClNO2S/c1-8-6-9(12)11(10(13)7-8)15-18(16,17)5-3-2-4-14/h6-7,15H,2-5H2,1H3.
What are the key properties of 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide?
4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide has a molecular weight of 419.57 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 116814857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).