(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium

C20H18ClO2S2+ — CID 58963853

IUPAC(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium
SMILESCc1ccc([S+](c2ccc(Cl)cc2)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H18ClO2S2/c1-15-3-7-17(8-4-15)24(18-9-5-16(21)6-10-18)19-11-13-20(14-12-19)25(2,22)23/h3-14H,1-2H3/q+1
InChIKeyPBEIMQXPDMBRGA-UHFFFAOYSA-N
MW389.95 g/mol
LogP5.15
Rot. Bonds4

About (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium

(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium (PubChem CID 58963853) has the molecular formula C20H18ClO2S2+ and a molecular weight of 389.95 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium
PubChem CID58963853
Molecular FormulaC20H18ClO2S2+
Molecular Weight389.95 g/mol
Exact Mass389.04
IUPAC Name(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium
SMILESCc1ccc([S+](c2ccc(Cl)cc2)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H18ClO2S2/c1-15-3-7-17(8-4-15)24(18-9-5-16(21)6-10-18)19-11-13-20(14-12-19)25(2,22)23/h3-14H,1-2H3/q+1
InChIKeyPBEIMQXPDMBRGA-UHFFFAOYSA-N
XLogP5.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.95
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378
benzenesulfonate;tris(4-methylphenyl)sulfanium
CID 22481329
(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
CID 143927079
1-chloro-4-methylbenzene;1-methylsulfonyl-4-(2,4,4-trimethylcyclopenten-1-yl)benzene
CID 142970865
(4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium
CID 3530628
tris(4-chlorophenyl)sulfanium acetate
CID 162329110
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
(4-chlorophenyl)azanium;4-methylbenzenesulfonate
CID 139082434
benzenesulfonate;triphenylsulfanium;1,4-xylene
CID 87522525
4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
CID 126737250
bis((4-methylsulfonylphenyl)-diphenylsulfanium);bis(trifluoromethanesulfonate)
CID 158271504
1-chloro-4-methylbenzene;zinc
CID 174694335

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium?
The IUPAC name of (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium (CID 58963853) is (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium.
What is the SMILES notation for (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium?
The canonical SMILES for (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium is Cc1ccc([S+](c2ccc(Cl)cc2)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium?
The InChIKey is PBEIMQXPDMBRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClO2S2/c1-15-3-7-17(8-4-15)24(18-9-5-16(21)6-10-18)19-11-13-20(14-12-19)25(2,22)23/h3-14H,1-2H3/q+1.
What are the key properties of (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium?
(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium has a molecular weight of 389.95 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium is sourced from PubChem (CID 58963853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).