2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide

C14H12ClFN2O4S2 — CID 42647220

IUPAC2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C14H12ClFN2O4S2/c15-11-4-1-3-10(9-11)7-8-23(19,20)18-13-6-2-5-12(16)14(13)24(17,21)22/h1-9,18H,(H2,17,21,22)/b8-7+
InChIKeyPFTARWRKFGFEIG-BQYQJAHWSA-N
MW390.85 g/mol
LogP2.54
Rot. Bonds5

About 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide

2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide (PubChem CID 42647220) has the molecular formula C14H12ClFN2O4S2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
PubChem CID42647220
Molecular FormulaC14H12ClFN2O4S2
Molecular Weight390.85 g/mol
Exact Mass389.99
IUPAC Name2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C14H12ClFN2O4S2/c15-11-4-1-3-10(9-11)7-8-23(19,20)18-13-6-2-5-12(16)14(13)24(17,21)22/h1-9,18H,(H2,17,21,22)/b8-7+
InChIKeyPFTARWRKFGFEIG-BQYQJAHWSA-N
XLogP2.54
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
The IUPAC name of 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide (CID 42647220) is 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide is NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1cccc(Cl)c1.
What is the InChIKey of 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
The InChIKey is PFTARWRKFGFEIG-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12ClFN2O4S2/c15-11-4-1-3-10(9-11)7-8-23(19,20)18-13-6-2-5-12(16)14(13)24(17,21)22/h1-9,18H,(H2,17,21,22)/b8-7+.
What are the key properties of 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide has a molecular weight of 390.85 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide is sourced from PubChem (CID 42647220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).