5-bromo-3-chloro-2-fluorobenzenesulfonamide

C6H4BrClFNO2S — CID 131622390

IUPAC5-bromo-3-chloro-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1F
InChIInChI=1S/C6H4BrClFNO2S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyUJODBJLLBHXSKC-UHFFFAOYSA-N
MW288.53 g/mol
LogP1.89
Rot. Bonds1

About 5-bromo-3-chloro-2-fluorobenzenesulfonamide

5-bromo-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 131622390) has the molecular formula C6H4BrClFNO2S and a molecular weight of 288.53 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-fluorobenzenesulfonamide
PubChem CID131622390
Molecular FormulaC6H4BrClFNO2S
Molecular Weight288.53 g/mol
Exact Mass286.88
IUPAC Name5-bromo-3-chloro-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1F
InChIInChI=1S/C6H4BrClFNO2S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyUJODBJLLBHXSKC-UHFFFAOYSA-N
XLogP1.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 51.89
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-(2-fluoroethoxy)benzenesulfonamide
CID 80694291
5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164412
2-bromo-3-chloro-5-fluorobenzenesulfonamide
CID 131622380
2,3,5-tribromobenzenesulfonamide
CID 119009314
5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
CID 65373691
2-(4-bromo-2-chloro-6-sulfamoylphenoxy)acetamide
CID 82920977
5-bromo-3-chloro-2-pentoxybenzenesulfonamide
CID 43164418
5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
CID 82921777
5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481199
propyl 5-bromo-2-fluoro-3-sulfamoylbenzoate
CID 65382220
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonamide
CID 65375980
5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
CID 43164414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-fluorobenzenesulfonamide (CID 131622390) is 5-bromo-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(Cl)c1F.
What is the InChIKey of 5-bromo-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is UJODBJLLBHXSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO2S/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 5-bromo-3-chloro-2-fluorobenzenesulfonamide?
5-bromo-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 288.53 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 131622390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).