4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide

C10H14Br2N2O2S — CID 43256888

IUPAC4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H14Br2N2O2S/c1-3-14(4-2)17(15,16)10-8(11)5-7(13)6-9(10)12/h5-6H,3-4,13H2,1-2H3
InChIKeyBIITXDYCYMBYBF-UHFFFAOYSA-N
MW386.11 g/mol
LogP2.82
Rot. Bonds4

About 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide

4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide (PubChem CID 43256888) has the molecular formula C10H14Br2N2O2S and a molecular weight of 386.11 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
PubChem CID43256888
Molecular FormulaC10H14Br2N2O2S
Molecular Weight386.11 g/mol
Exact Mass383.91
IUPAC Name4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H14Br2N2O2S/c1-3-14(4-2)17(15,16)10-8(11)5-7(13)6-9(10)12/h5-6H,3-4,13H2,1-2H3
InChIKeyBIITXDYCYMBYBF-UHFFFAOYSA-N
XLogP2.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037
4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089
4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934536
2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61116167
4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295470
4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053036
4-amino-2,6-dibromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115985226
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
2-amino-4,6-dibromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102991009

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide (CID 43256888) is 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide?
The InChIKey is BIITXDYCYMBYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S/c1-3-14(4-2)17(15,16)10-8(11)5-7(13)6-9(10)12/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide?
4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide has a molecular weight of 386.11 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 43256888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).