2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide

C14H12BrFN2O4S2 — CID 42644373

IUPAC2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O4S2/c15-11-6-4-10(5-7-11)8-9-23(19,20)18-13-3-1-2-12(16)14(13)24(17,21)22/h1-9,18H,(H2,17,21,22)/b9-8+
InChIKeyAOBLVYNWAWKBSO-CMDGGOBGSA-N
MW435.30 g/mol
LogP2.65
Rot. Bonds5

About 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide

2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide (PubChem CID 42644373) has the molecular formula C14H12BrFN2O4S2 and a molecular weight of 435.30 g/mol. Its IUPAC name is 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
PubChem CID42644373
Molecular FormulaC14H12BrFN2O4S2
Molecular Weight435.30 g/mol
Exact Mass433.94
IUPAC Name2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O4S2/c15-11-6-4-10(5-7-11)8-9-23(19,20)18-13-3-1-2-12(16)14(13)24(17,21)22/h1-9,18H,(H2,17,21,22)/b9-8+
InChIKeyAOBLVYNWAWKBSO-CMDGGOBGSA-N
XLogP2.65
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
The IUPAC name of 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide (CID 42644373) is 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide is NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
The InChIKey is AOBLVYNWAWKBSO-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12BrFN2O4S2/c15-11-6-4-10(5-7-11)8-9-23(19,20)18-13-3-1-2-12(16)14(13)24(17,21)22/h1-9,18H,(H2,17,21,22)/b9-8+.
What are the key properties of 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide has a molecular weight of 435.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide is sourced from PubChem (CID 42644373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).