4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide

C11H16Br2N2O3S — CID 81053036

IUPAC4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-3-18-5-4-15(2)19(16,17)11-9(12)6-8(14)7-10(11)13/h6-7H,3-5,14H2,1-2H3
InChIKeyYDHLVWHJTDWQDP-UHFFFAOYSA-N
MW416.14 g/mol
LogP2.45
Rot. Bonds6

About 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide

4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 81053036) has the molecular formula C11H16Br2N2O3S and a molecular weight of 416.14 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
PubChem CID81053036
Molecular FormulaC11H16Br2N2O3S
Molecular Weight416.14 g/mol
Exact Mass413.92
IUPAC Name4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-3-18-5-4-15(2)19(16,17)11-9(12)6-8(14)7-10(11)13/h6-7H,3-5,14H2,1-2H3
InChIKeyYDHLVWHJTDWQDP-UHFFFAOYSA-N
XLogP2.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.14
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295470
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
CID 43256888
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61127636
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (CID 81053036) is 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is YDHLVWHJTDWQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O3S/c1-3-18-5-4-15(2)19(16,17)11-9(12)6-8(14)7-10(11)13/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 416.14 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 81053036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).