3-(4-bromophenyl)sulfonylbenzenesulfonamide

C12H10BrNO4S2 — CID 1119028

IUPAC3-(4-bromophenyl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C12H10BrNO4S2/c13-9-4-6-10(7-5-9)19(15,16)11-2-1-3-12(8-11)20(14,17)18/h1-8H,(H2,14,17,18)
InChIKeyKGPJBWUIFDTSMZ-UHFFFAOYSA-N
MW376.25 g/mol
LogP1.93
Rot. Bonds3

About 3-(4-bromophenyl)sulfonylbenzenesulfonamide

3-(4-bromophenyl)sulfonylbenzenesulfonamide (PubChem CID 1119028) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonylbenzenesulfonamide
PubChem CID1119028
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Name3-(4-bromophenyl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C12H10BrNO4S2/c13-9-4-6-10(7-5-9)19(15,16)11-2-1-3-12(8-11)20(14,17)18/h1-8H,(H2,14,17,18)
InChIKeyKGPJBWUIFDTSMZ-UHFFFAOYSA-N
XLogP1.93
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonylbenzenesulfonamide?
The IUPAC name of 3-(4-bromophenyl)sulfonylbenzenesulfonamide (CID 1119028) is 3-(4-bromophenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonylbenzenesulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonylbenzenesulfonamide?
The InChIKey is KGPJBWUIFDTSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c13-9-4-6-10(7-5-9)19(15,16)11-2-1-3-12(8-11)20(14,17)18/h1-8H,(H2,14,17,18).
What are the key properties of 3-(4-bromophenyl)sulfonylbenzenesulfonamide?
3-(4-bromophenyl)sulfonylbenzenesulfonamide has a molecular weight of 376.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 1119028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).