[4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium

C20H19FNO2S2+ — CID 153456940

IUPAC[4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium
SMILESCc1ccc([S+](c2ccccc2)c2ccc(F)cc2NS(C)(=O)=O)cc1
InChIInChI=1S/C20H19FNO2S2/c1-15-8-11-18(12-9-15)25(17-6-4-3-5-7-17)20-13-10-16(21)14-19(20)22-26(2,23)24/h3-14,22H,1-2H3/q+1
InChIKeyYSOBXSWJPACVAX-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.60
Rot. Bonds5

About [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium

[4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium (PubChem CID 153456940) has the molecular formula C20H19FNO2S2+ and a molecular weight of 388.51 g/mol. Its IUPAC name is [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium.

Molecular Properties

Compound Name[4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium
PubChem CID153456940
Molecular FormulaC20H19FNO2S2+
Molecular Weight388.51 g/mol
Exact Mass388.08
IUPAC Name[4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium
SMILESCc1ccc([S+](c2ccccc2)c2ccc(F)cc2NS(C)(=O)=O)cc1
InChIInChI=1S/C20H19FNO2S2/c1-15-8-11-18(12-9-15)25(17-6-4-3-5-7-17)20-13-10-16(21)14-19(20)22-26(2,23)24/h3-14,22H,1-2H3/q+1
InChIKeyYSOBXSWJPACVAX-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

[2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 147996509
[5-fluoro-2-[(4-methylphenyl)-phenylsulfonio]phenyl]-methylsulfonylazanide
CID 153456939
N-(5-fluoro-2-methylphenyl)-2-(methanesulfonamido)benzamide
CID 51163852
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
N-[5-fluoro-2-(methanesulfonamido)phenyl]-2-phenylacetamide
CID 113093344
5-fluoro-N,2-dimethylaniline;toluene
CID 143638589
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
CID 10358200
(2,4-dimethylphenyl)-diphenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate
CID 22057280
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
benzenesulfonate;tris(4-methylphenyl)sulfanium
CID 22481329
bis(4-methylphenyl)-phenylsulfanium tetrafluoroborate
CID 23133245

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium?
The IUPAC name of [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium (CID 153456940) is [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium.
What is the SMILES notation for [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium?
The canonical SMILES for [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium is Cc1ccc([S+](c2ccccc2)c2ccc(F)cc2NS(C)(=O)=O)cc1.
What is the InChIKey of [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium?
The InChIKey is YSOBXSWJPACVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FNO2S2/c1-15-8-11-18(12-9-15)25(17-6-4-3-5-7-17)20-13-10-16(21)14-19(20)22-26(2,23)24/h3-14,22H,1-2H3/q+1.
What are the key properties of [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium?
[4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium has a molecular weight of 388.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium is sourced from PubChem (CID 153456940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).