2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide

C11H15Br2NO3S — CID 82714913

IUPAC2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NOCC(C)C)cc1Br
InChIInChI=1S/C11H15Br2NO3S/c1-7(2)6-17-14-18(15,16)11-5-9(12)8(3)4-10(11)13/h4-5,7,14H,6H2,1-3H3
InChIKeyVIWBKLKUKCZQBL-UHFFFAOYSA-N
MW401.12 g/mol
LogP3.39
Rot. Bonds5

About 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide

2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide (PubChem CID 82714913) has the molecular formula C11H15Br2NO3S and a molecular weight of 401.12 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
PubChem CID82714913
Molecular FormulaC11H15Br2NO3S
Molecular Weight401.12 g/mol
Exact Mass398.91
IUPAC Name2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NOCC(C)C)cc1Br
InChIInChI=1S/C11H15Br2NO3S/c1-7(2)6-17-14-18(15,16)11-5-9(12)8(3)4-10(11)13/h4-5,7,14H,6H2,1-3H3
InChIKeyVIWBKLKUKCZQBL-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.12
LogP ≤ 53.39
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

2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
CID 82715356
2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide
CID 81424081
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
2,4-dimethyl-5-(2-methylpropoxysulfamoyl)benzoic acid
CID 82706185
2-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714903
2,5-dibromo-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 80707880
2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide
CID 113258209
6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225601
2,5-dibromo-N-[2-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 80708425
2,5-dibromo-N-(3-chloro-2-methylpropyl)-4-methylbenzenesulfonamide
CID 81327843
4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
CID 82714564
2,5-dibromo-N-(1-bromo-3-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 106185015

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide (CID 82714913) is 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NOCC(C)C)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is VIWBKLKUKCZQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3S/c1-7(2)6-17-14-18(15,16)11-5-9(12)8(3)4-10(11)13/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide?
2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 401.12 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 82714913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).