4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide

C10H12BrCl2NO3S — CID 82723965

IUPAC4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO3S/c1-10(2,3)17-14-18(15,16)9-7(12)4-6(11)5-8(9)13/h4-5,14H,1-3H3
InChIKeyAZGPYSWYYLDPFI-UHFFFAOYSA-N
MW377.09 g/mol
LogP3.76
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide

4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (PubChem CID 82723965) has the molecular formula C10H12BrCl2NO3S and a molecular weight of 377.09 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
PubChem CID82723965
Molecular FormulaC10H12BrCl2NO3S
Molecular Weight377.09 g/mol
Exact Mass374.91
IUPAC Name4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO3S/c1-10(2,3)17-14-18(15,16)9-7(12)4-6(11)5-8(9)13/h4-5,14H,1-3H3
InChIKeyAZGPYSWYYLDPFI-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.09
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147534
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid
CID 60661245
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724737
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide
CID 106146020
2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724404
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]acetate
CID 24670687
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793309
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833989

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (CID 82723965) is 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is CC(C)(C)ONS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The InChIKey is AZGPYSWYYLDPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO3S/c1-10(2,3)17-14-18(15,16)9-7(12)4-6(11)5-8(9)13/h4-5,14H,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide has a molecular weight of 377.09 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is sourced from PubChem (CID 82723965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).