3,4-dibromo-5-chlorobenzenesulfonamide

C6H4Br2ClNO2S — CID 171008956

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

About 3,4-dibromo-5-chlorobenzenesulfonamide

3,4-dibromo-5-chlorobenzenesulfonamide (PubChem CID 171008956) has the molecular formula C6H4Br2ClNO2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3,4-dibromo-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3,4-dibromo-5-chlorobenzenesulfonamide
PubChem CID171008956
Molecular FormulaC6H4Br2ClNO2S
Molecular Weight349.43 g/mol
Exact Mass346.80
IUPAC Name3,4-dibromo-5-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(Br)c(Br)c1
InChIInChI=1S/C6H4Br2ClNO2S/c7-4-1-3(13(10,11)12)2-5(9)6(4)8/h1-2H,(H2,10,11,12)
InChIKeyYEQLGRWINJATNK-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

3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
3-bromo-4-chloro-5-methylbenzenesulfonamide
CID 171001910
2-bromo-1,3-dichloro-5-methylsulfonylbenzene
CID 53416560
3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
CID 115580042
2-bromo-3-chloro-5-fluorobenzenesulfonamide
CID 131622380
3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231
4-amino-5-bromobenzene-1,3-disulfonamide
CID 22323981
3,5-dichloro-4-[[5-(2,6-dichloro-4-sulfamoylanilino)-1,3,4-thiadiazol-2-yl]amino]benzenesulfonamide
CID 10530975
3-chloro-5-ethyl-4-methylbenzenesulfonamide
CID 174477072
1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene
CID 2388443
5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride
CID 158243562
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-5-chlorobenzenesulfonamide?
The IUPAC name of 3,4-dibromo-5-chlorobenzenesulfonamide (CID 171008956) is 3,4-dibromo-5-chlorobenzenesulfonamide.
What is the SMILES notation for 3,4-dibromo-5-chlorobenzenesulfonamide?
The canonical SMILES for 3,4-dibromo-5-chlorobenzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(Br)c(Br)c1.
What is the InChIKey of 3,4-dibromo-5-chlorobenzenesulfonamide?
The InChIKey is YEQLGRWINJATNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2ClNO2S/c7-4-1-3(13(10,11)12)2-5(9)6(4)8/h1-2H,(H2,10,11,12).
What are the key properties of 3,4-dibromo-5-chlorobenzenesulfonamide?
3,4-dibromo-5-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 3,4-dibromo-5-chlorobenzenesulfonamide is sourced from PubChem (CID 171008956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).