4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide

C11H14Br2N2O3S — CID 82725622

IUPAC4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H14Br2N2O3S/c1-6-10(2-3-18-6)15-19(16,17)11-8(12)4-7(14)5-9(11)13/h4-6,10,15H,2-3,14H2,1H3
InChIKeyHPZFERYMORXPCH-UHFFFAOYSA-N
MW414.12 g/mol
LogP2.25
Rot. Bonds3

About 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide

4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82725622) has the molecular formula C11H14Br2N2O3S and a molecular weight of 414.12 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82725622
Molecular FormulaC11H14Br2N2O3S
Molecular Weight414.12 g/mol
Exact Mass411.91
IUPAC Name4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H14Br2N2O3S/c1-6-10(2-3-18-6)15-19(16,17)11-8(12)4-7(14)5-9(11)13/h4-6,10,15H,2-3,14H2,1H3
InChIKeyHPZFERYMORXPCH-UHFFFAOYSA-N
XLogP2.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
CID 43258329
3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725620
5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725317
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
4-amino-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729066
5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide
CID 82737437
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282
4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82728733
5-amino-3-bromo-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82741220

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82725622) is 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC1OCCC1NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is HPZFERYMORXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O3S/c1-6-10(2-3-18-6)15-19(16,17)11-8(12)4-7(14)5-9(11)13/h4-6,10,15H,2-3,14H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 414.12 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82725622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).