benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)

C12H13Cl4FN2O8S4 — CID 174977525

IUPACbenzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)
SMILESNS(=O)(=O)c1ccc(F)cc1.NS(=O)(=O)c1ccccc1.O=S(=O)(Cl)Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H6FNO2S.C6H7NO2S.2Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10;7-10(8,9)6-4-2-1-3-5-6;2*1-5(2,3)4/h1-4H,(H2,8,9,10);1-5H,(H2,7,8,9);;
InChIKeyCTPJUMDCBAIMLR-UHFFFAOYSA-N
MW602.32 g/mol
LogP2.22
Rot. Bonds2

About benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)

benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride) (PubChem CID 174977525) has the molecular formula C12H13Cl4FN2O8S4 and a molecular weight of 602.32 g/mol. Its IUPAC name is benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride).

Molecular Properties

Compound Namebenzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)
PubChem CID174977525
Molecular FormulaC12H13Cl4FN2O8S4
Molecular Weight602.32 g/mol
Exact Mass599.83
IUPAC Namebenzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)
SMILESNS(=O)(=O)c1ccc(F)cc1.NS(=O)(=O)c1ccccc1.O=S(=O)(Cl)Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H6FNO2S.C6H7NO2S.2Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10;7-10(8,9)6-4-2-1-3-5-6;2*1-5(2,3)4/h1-4H,(H2,8,9,10);1-5H,(H2,7,8,9);;
InChIKeyCTPJUMDCBAIMLR-UHFFFAOYSA-N
XLogP2.22
TPSA188.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
disodium;benzenesulfonamide;hydride
CID 174402178
benzenesulfonamide;methanol
CID 23223292
benzenesulfonamide;2-methylpropane
CID 157350693
benzenesulfonamide;boric acid
CID 160795607
tris(4-fluorophenyl)-phenyl-λ4-sulfane
CID 118643814
(4-fluorophenyl)-triphenyl-λ4-sulfane
CID 121305957
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
4-(N-fluoroanilino)benzenesulfonamide
CID 174932224
3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid
CID 23370544
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid
CID 162013282

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)?
The IUPAC name of benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride) (CID 174977525) is benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride).
What is the SMILES notation for benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)?
The canonical SMILES for benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride) is NS(=O)(=O)c1ccc(F)cc1.NS(=O)(=O)c1ccccc1.O=S(=O)(Cl)Cl.O=S(=O)(Cl)Cl.
What is the InChIKey of benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)?
The InChIKey is CTPJUMDCBAIMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2S.C6H7NO2S.2Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10;7-10(8,9)6-4-2-1-3-5-6;2*1-5(2,3)4/h1-4H,(H2,8,9,10);1-5H,(H2,7,8,9);;.
What are the key properties of benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)?
benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride) has a molecular weight of 602.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride) is sourced from PubChem (CID 174977525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).