2-(2-bromophenyl)sulfanylbenzenesulfonamide

C12H10BrNO2S2 — CID 15561583

IUPAC2-(2-bromophenyl)sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Sc1ccccc1Br
InChIInChI=1S/C12H10BrNO2S2/c13-9-5-1-2-6-10(9)17-11-7-3-4-8-12(11)18(14,15)16/h1-8H,(H2,14,15,16)
InChIKeyJAUOPSSWLLXNTE-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.25
Rot. Bonds3

About 2-(2-bromophenyl)sulfanylbenzenesulfonamide

2-(2-bromophenyl)sulfanylbenzenesulfonamide (PubChem CID 15561583) has the molecular formula C12H10BrNO2S2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanylbenzenesulfonamide
PubChem CID15561583
Molecular FormulaC12H10BrNO2S2
Molecular Weight344.26 g/mol
Exact Mass342.93
IUPAC Name2-(2-bromophenyl)sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Sc1ccccc1Br
InChIInChI=1S/C12H10BrNO2S2/c13-9-5-1-2-6-10(9)17-11-7-3-4-8-12(11)18(14,15)16/h1-8H,(H2,14,15,16)
InChIKeyJAUOPSSWLLXNTE-UHFFFAOYSA-N
XLogP3.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-(2-bromophenyl)sulfanyl-2-methylbenzenesulfonamide
CID 79904670
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
2-(2-sulfamoylphenyl)sulfanylbenzoate
CID 6924052
2-(2-aminoethylsulfanyl)benzenesulfonamide
CID 154389901
1-(amino-methylidene-oxo-λ6-sulfanyl)-2-bromobenzene
CID 91226081
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
2-sulfanylbenzenesulfonamide
CID 11041532
2-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 66112944
2-(2-sulfamoylphenyl)sulfanylpropanoic acid
CID 43454192
1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 53349981
2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide
CID 79682078
1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene
CID 177169783

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanylbenzenesulfonamide?
The IUPAC name of 2-(2-bromophenyl)sulfanylbenzenesulfonamide (CID 15561583) is 2-(2-bromophenyl)sulfanylbenzenesulfonamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanylbenzenesulfonamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanylbenzenesulfonamide is NS(=O)(=O)c1ccccc1Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanylbenzenesulfonamide?
The InChIKey is JAUOPSSWLLXNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S2/c13-9-5-1-2-6-10(9)17-11-7-3-4-8-12(11)18(14,15)16/h1-8H,(H2,14,15,16).
What are the key properties of 2-(2-bromophenyl)sulfanylbenzenesulfonamide?
2-(2-bromophenyl)sulfanylbenzenesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanylbenzenesulfonamide is sourced from PubChem (CID 15561583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).