4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide

C14H12ClFN2O4S2 — CID 76869846

IUPAC4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H12ClFN2O4S2/c15-11-3-1-10(2-4-11)7-8-23(19,20)18-14-6-5-12(9-13(14)16)24(17,21)22/h1-9,18H,(H2,17,21,22)
InChIKeyKNGXRAMGSASQNV-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.54
Rot. Bonds5

About 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide

4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide (PubChem CID 76869846) has the molecular formula C14H12ClFN2O4S2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
PubChem CID76869846
Molecular FormulaC14H12ClFN2O4S2
Molecular Weight390.85 g/mol
Exact Mass389.99
IUPAC Name4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H12ClFN2O4S2/c15-11-3-1-10(2-4-11)7-8-23(19,20)18-14-6-5-12(9-13(14)16)24(17,21)22/h1-9,18H,(H2,17,21,22)
InChIKeyKNGXRAMGSASQNV-UHFFFAOYSA-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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Related Compounds

3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide
CID 90481162
4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68782626
4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
CID 60713097
(E)-N-(2-bromo-6-fluorophenyl)-2-(4-chlorophenyl)ethenesulfonamide
CID 75362725
(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60533207
2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide
CID 60579083
(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide
CID 26969723
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
N-(2-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 47148674
N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide
CID 73447777
2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-4-fluorobenzenesulfonamide
CID 42644607
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide (CID 76869846) is 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide?
The InChIKey is KNGXRAMGSASQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O4S2/c15-11-3-1-10(2-4-11)7-8-23(19,20)18-14-6-5-12(9-13(14)16)24(17,21)22/h1-9,18H,(H2,17,21,22).
What are the key properties of 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide?
4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-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 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 76869846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).