2,3,5-tribromobenzenesulfonamide

C6H4Br3NO2S — CID 119009314

IUPAC2,3,5-tribromobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Br)c1Br
InChIInChI=1S/C6H4Br3NO2S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyUGYKSACCMLLBMK-UHFFFAOYSA-N
MW393.88 g/mol
LogP2.62
Rot. Bonds1

About 2,3,5-tribromobenzenesulfonamide

2,3,5-tribromobenzenesulfonamide (PubChem CID 119009314) has the molecular formula C6H4Br3NO2S and a molecular weight of 393.88 g/mol. Its IUPAC name is 2,3,5-tribromobenzenesulfonamide.

Molecular Properties

Compound Name2,3,5-tribromobenzenesulfonamide
PubChem CID119009314
Molecular FormulaC6H4Br3NO2S
Molecular Weight393.88 g/mol
Exact Mass390.75
IUPAC Name2,3,5-tribromobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Br)c1Br
InChIInChI=1S/C6H4Br3NO2S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyUGYKSACCMLLBMK-UHFFFAOYSA-N
XLogP2.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-chloro-2-fluorobenzenesulfonamide
CID 131622390
ethyl 2,5-dibromo-3-sulfamoylbenzoate
CID 114375929
3-bromonaphthalene-1-sulfonamide
CID 155937826
5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
CID 65373691
2-bromo-3-chloro-5-fluorobenzenesulfonamide
CID 131622380
2-amino-5-bromo-3-hydroxybenzenesulfonic acid
CID 71375241
5-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130095356
2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 122525641
7-bromo-1-chloroisoquinoline-5-sulfonamide
CID 156572307
propyl 5-bromo-2-fluoro-3-sulfamoylbenzoate
CID 65382220
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonamide
CID 65375980
3,4-dibromo-2-fluorobenzenesulfonamide
CID 130822552

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tribromobenzenesulfonamide?
The IUPAC name of 2,3,5-tribromobenzenesulfonamide (CID 119009314) is 2,3,5-tribromobenzenesulfonamide.
What is the SMILES notation for 2,3,5-tribromobenzenesulfonamide?
The canonical SMILES for 2,3,5-tribromobenzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(Br)c1Br.
What is the InChIKey of 2,3,5-tribromobenzenesulfonamide?
The InChIKey is UGYKSACCMLLBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br3NO2S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2H,(H2,10,11,12).
What are the key properties of 2,3,5-tribromobenzenesulfonamide?
2,3,5-tribromobenzenesulfonamide has a molecular weight of 393.88 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tribromobenzenesulfonamide is sourced from PubChem (CID 119009314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).