2-(3-bromo-5-nitrophenoxy)ethanesulfonamide

C8H9BrN2O5S — CID 103589539

IUPAC2-(3-bromo-5-nitrophenoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H9BrN2O5S/c9-6-3-7(11(12)13)5-8(4-6)16-1-2-17(10,14)15/h3-5H,1-2H2,(H2,10,14,15)
InChIKeyKQRXSURIPDULBI-UHFFFAOYSA-N
MW325.14 g/mol
LogP1.02
Rot. Bonds5

About 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide

2-(3-bromo-5-nitrophenoxy)ethanesulfonamide (PubChem CID 103589539) has the molecular formula C8H9BrN2O5S and a molecular weight of 325.14 g/mol. Its IUPAC name is 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-bromo-5-nitrophenoxy)ethanesulfonamide
PubChem CID103589539
Molecular FormulaC8H9BrN2O5S
Molecular Weight325.14 g/mol
Exact Mass323.94
IUPAC Name2-(3-bromo-5-nitrophenoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H9BrN2O5S/c9-6-3-7(11(12)13)5-8(4-6)16-1-2-17(10,14)15/h3-5H,1-2H2,(H2,10,14,15)
InChIKeyKQRXSURIPDULBI-UHFFFAOYSA-N
XLogP1.02
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(3-bromopropoxy)-5-nitrobenzene
CID 103588530
9-(3-bromo-5-nitrophenoxy)nonane-1-thiol
CID 103589603
1-bromo-3-(5-chloropentoxy)-5-nitrobenzene
CID 103588512
2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
CID 103588685
3-(3-bromo-5-nitrophenoxy)propanimidamide
CID 103588762
1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
CID 142787277
methyl 3-(3-bromo-5-nitrophenoxy)propanoate
CID 103588445
1-(3-azidopropoxy)-3-bromo-5-nitrobenzene
CID 103589292
(E)-4-(3-bromo-5-nitrophenoxy)but-2-en-1-amine
CID 103588700
methyl 2-amino-4-(3-bromo-5-nitrophenoxy)butanoate
CID 103589399
4-(3-bromo-5-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 103588643
2-amino-6-(3-bromo-5-nitrophenoxy)-2-methylhexanamide
CID 103589421

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide?
The IUPAC name of 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide (CID 103589539) is 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide.
What is the SMILES notation for 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide?
The canonical SMILES for 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide is NS(=O)(=O)CCOc1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide?
The InChIKey is KQRXSURIPDULBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O5S/c9-6-3-7(11(12)13)5-8(4-6)16-1-2-17(10,14)15/h3-5H,1-2H2,(H2,10,14,15).
What are the key properties of 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide?
2-(3-bromo-5-nitrophenoxy)ethanesulfonamide has a molecular weight of 325.14 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-nitrophenoxy)ethanesulfonamide is sourced from PubChem (CID 103589539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).