(4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium

C15H17ClNO2S2+ — CID 3530628

IUPAC(4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium
SMILESCc1ccc(S(=O)(=O)N(C)[S+](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClNO2S2/c1-12-4-10-15(11-5-12)21(18,19)17(2)20(3)14-8-6-13(16)7-9-14/h4-11H,1-3H3/q+1
InChIKeyIHQZZKFZTKGMKT-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.49
Rot. Bonds4

About (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium

(4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium (PubChem CID 3530628) has the molecular formula C15H17ClNO2S2+ and a molecular weight of 342.89 g/mol. Its IUPAC name is (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium.

Molecular Properties

Compound Name(4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium
PubChem CID3530628
Molecular FormulaC15H17ClNO2S2+
Molecular Weight342.89 g/mol
Exact Mass342.04
IUPAC Name(4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium
SMILESCc1ccc(S(=O)(=O)N(C)[S+](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClNO2S2/c1-12-4-10-15(11-5-12)21(18,19)17(2)20(3)14-8-6-13(16)7-9-14/h4-11H,1-3H3/q+1
InChIKeyIHQZZKFZTKGMKT-UHFFFAOYSA-N
XLogP3.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.49
H-Bond Donors ≤ 50
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-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium
CID 58963853
4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide
CID 2313101
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-[2-bromo-2-(4-chlorophenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 101495550
(4-chlorophenyl)azanium;4-methylbenzenesulfonate
CID 139082434
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate
CID 50889833
[2-(4-methylphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2339654
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
CID 173126628
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
1-chloro-4-methylbenzene;zinc
CID 174694335

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium?
The IUPAC name of (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium (CID 3530628) is (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium.
What is the SMILES notation for (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium?
The canonical SMILES for (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium is Cc1ccc(S(=O)(=O)N(C)[S+](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium?
The InChIKey is IHQZZKFZTKGMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClNO2S2/c1-12-4-10-15(11-5-12)21(18,19)17(2)20(3)14-8-6-13(16)7-9-14/h4-11H,1-3H3/q+1.
What are the key properties of (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium?
(4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium has a molecular weight of 342.89 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium is sourced from PubChem (CID 3530628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).