2-(2-bromophenoxy)-5-nitrobenzenesulfonamide

C12H9BrN2O5S — CID 16757272

IUPAC2-(2-bromophenoxy)-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br
InChIInChI=1S/C12H9BrN2O5S/c13-9-3-1-2-4-10(9)20-11-6-5-8(15(16)17)7-12(11)21(14,18)19/h1-7H,(H2,14,18,19)
InChIKeyPEBBQEJYKGKTID-UHFFFAOYSA-N
MW373.18 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide

2-(2-bromophenoxy)-5-nitrobenzenesulfonamide (PubChem CID 16757272) has the molecular formula C12H9BrN2O5S and a molecular weight of 373.18 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-5-nitrobenzenesulfonamide
PubChem CID16757272
Molecular FormulaC12H9BrN2O5S
Molecular Weight373.18 g/mol
Exact Mass371.94
IUPAC Name2-(2-bromophenoxy)-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br
InChIInChI=1S/C12H9BrN2O5S/c13-9-3-1-2-4-10(9)20-11-6-5-8(15(16)17)7-12(11)21(14,18)19/h1-7H,(H2,14,18,19)
InChIKeyPEBBQEJYKGKTID-UHFFFAOYSA-N
XLogP2.80
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.18
LogP ≤ 52.80
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

2-(2-chlorophenoxy)-5-nitrobenzenesulfonamide
CID 16757271
2-(2-bromophenoxy)-5-nitrobenzaldehyde
CID 28888057
2-[(2-bromophenyl)methyl]-4-nitrobenzenesulfonamide
CID 175587812
1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone
CID 62871575
2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide
CID 4851626
2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide
CID 16756875
2-(2-methylpropoxy)-5-nitrobenzenesulfonamide
CID 43164364
5-nitro-2-prop-2-ynoxybenzenesulfonamide
CID 82921555
2-(2-methylsulfonylethoxy)-5-nitrobenzenesulfonamide
CID 61058675
2-(3-methylbutoxy)-5-nitrobenzenesulfonamide
CID 43342318
2-(4-methylpentoxy)-5-nitrobenzenesulfonamide
CID 83157782
5-nitro-2-(oxan-4-yloxy)benzenesulfonamide
CID 63937462

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide (CID 16757272) is 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide?
The InChIKey is PEBBQEJYKGKTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O5S/c13-9-3-1-2-4-10(9)20-11-6-5-8(15(16)17)7-12(11)21(14,18)19/h1-7H,(H2,14,18,19).
What are the key properties of 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide?
2-(2-bromophenoxy)-5-nitrobenzenesulfonamide has a molecular weight of 373.18 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 16757272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).