3,5-dibromo-4-chlorobenzenesulfonamide

C6H4Br2ClNO2S — CID 171009073

IUPAC3,5-dibromo-4-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(Cl)c(Br)c1
InChIInChI=1S/C6H4Br2ClNO2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,(H2,10,11,12)
InChIKeyMZSHREKHEWWEOI-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.51
Rot. Bonds1

About 3,5-dibromo-4-chlorobenzenesulfonamide

3,5-dibromo-4-chlorobenzenesulfonamide (PubChem CID 171009073) has the molecular formula C6H4Br2ClNO2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3,5-dibromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3,5-dibromo-4-chlorobenzenesulfonamide
PubChem CID171009073
Molecular FormulaC6H4Br2ClNO2S
Molecular Weight349.43 g/mol
Exact Mass346.80
IUPAC Name3,5-dibromo-4-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(Cl)c(Br)c1
InChIInChI=1S/C6H4Br2ClNO2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,(H2,10,11,12)
InChIKeyMZSHREKHEWWEOI-UHFFFAOYSA-N
XLogP2.51
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-5-methylbenzenesulfonamide
CID 171001910
3,4-dibromo-5-chlorobenzenesulfonamide
CID 171008956
4-amino-5-bromobenzene-1,3-disulfonamide
CID 22323981
3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide
CID 104538212
3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
CID 99719134
3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465788
4-chloro-5-methylbenzene-1,3-disulfonamide
CID 134098209
5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride
CID 158243562
4-chloro-3-fluoro-5-methylbenzenesulfonamide
CID 118838881
3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 82915114
3-bromo-5-fluorobenzenesulfonamide
CID 118572967
4-bromobenzenesulfonamide;ethane
CID 143929211

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-chlorobenzenesulfonamide?
The IUPAC name of 3,5-dibromo-4-chlorobenzenesulfonamide (CID 171009073) is 3,5-dibromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3,5-dibromo-4-chlorobenzenesulfonamide?
The canonical SMILES for 3,5-dibromo-4-chlorobenzenesulfonamide is NS(=O)(=O)c1cc(Br)c(Cl)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-chlorobenzenesulfonamide?
The InChIKey is MZSHREKHEWWEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2ClNO2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,(H2,10,11,12).
What are the key properties of 3,5-dibromo-4-chlorobenzenesulfonamide?
3,5-dibromo-4-chlorobenzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 171009073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).