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

C20H20NO2S2+ — CID 147996509

IUPAC[2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium
SMILESCc1ccc([S+](c2ccccc2)c2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C20H20NO2S2/c1-16-12-14-18(15-13-16)24(17-8-4-3-5-9-17)20-11-7-6-10-19(20)21-25(2,22)23/h3-15,21H,1-2H3/q+1
InChIKeyJLTVJWKVSKKKJN-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.46
Rot. Bonds5

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

[2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium (PubChem CID 147996509) has the molecular formula C20H20NO2S2+ and a molecular weight of 370.52 g/mol. Its IUPAC name is [2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium.

Molecular Properties

Compound Name[2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium
PubChem CID147996509
Molecular FormulaC20H20NO2S2+
Molecular Weight370.52 g/mol
Exact Mass370.09
IUPAC Name[2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium
SMILESCc1ccc([S+](c2ccccc2)c2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C20H20NO2S2/c1-16-12-14-18(15-13-16)24(17-8-4-3-5-9-17)20-11-7-6-10-19(20)21-25(2,22)23/h3-15,21H,1-2H3/q+1
InChIKeyJLTVJWKVSKKKJN-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.46
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

[4-fluoro-2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 153456940
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
benzenesulfonate;tris(4-methylphenyl)sulfanium
CID 22481329
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438
2-bis(4-methylphenyl)sulfoniophenolate
CID 140860535
[4-(4-methylphenyl)phenyl]-diphenylsulfanium
CID 172737703
(4-iodophenyl)-diphenylsulfanium;4-methylbenzenesulfonate
CID 172726229
[5-fluoro-2-[(4-methylphenyl)-phenylsulfonio]phenyl]-methylsulfonylazanide
CID 153456939
benzenesulfonate;triphenylsulfanium;1,4-xylene
CID 87522525
bis(4-methylphenyl)-phenylsulfanium tetrafluoroborate
CID 23133245
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795

Frequently Asked Questions

What is the IUPAC name of [2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium?
The IUPAC name of [2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium (CID 147996509) is [2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium.
What is the SMILES notation for [2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium?
The canonical SMILES for [2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium is Cc1ccc([S+](c2ccccc2)c2ccccc2NS(C)(=O)=O)cc1.
What is the InChIKey of [2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium?
The InChIKey is JLTVJWKVSKKKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO2S2/c1-16-12-14-18(15-13-16)24(17-8-4-3-5-9-17)20-11-7-6-10-19(20)21-25(2,22)23/h3-15,21H,1-2H3/q+1.
What are the key properties of [2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium?
[2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium has a molecular weight of 370.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methanesulfonamido)phenyl]-(4-methylphenyl)-phenylsulfanium is sourced from PubChem (CID 147996509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).