2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium

C17H20Cl2NO2S+ — CID 8963732

IUPAC2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO2S/c1-13-5-3-4-6-14(13)12-20(2)9-10-23(21,22)17-11-15(18)7-8-16(17)19/h3-8,11H,9-10,12H2,1-2H3/p+1
InChIKeyFGXJBGBJAVEIJE-UHFFFAOYSA-O
MW373.33 g/mol
LogP2.79
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium

2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 8963732) has the molecular formula C17H20Cl2NO2S+ and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID8963732
Molecular FormulaC17H20Cl2NO2S+
Molecular Weight373.33 g/mol
Exact Mass372.06
IUPAC Name2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO2S/c1-13-5-3-4-6-14(13)12-20(2)9-10-23(21,22)17-11-15(18)7-8-16(17)19/h3-8,11H,9-10,12H2,1-2H3/p+1
InChIKeyFGXJBGBJAVEIJE-UHFFFAOYSA-O
XLogP2.79
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium
CID 8767670
2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050004
3-(2,5-dichlorophenyl)sulfonyl-N-propylpropan-1-amine
CID 64641245
3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide
CID 126223702
(2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane
CID 130493441
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
2-(2,5-dichlorophenyl)sulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylethanamine
CID 27247276
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903343
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine
CID 8920650
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8963788

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium (CID 8963732) is 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium is Cc1ccccc1C[NH+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is FGXJBGBJAVEIJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19Cl2NO2S/c1-13-5-3-4-6-14(13)12-20(2)9-10-23(21,22)17-11-15(18)7-8-16(17)19/h3-8,11H,9-10,12H2,1-2H3/p+1.
What are the key properties of 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium?
2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 373.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 8963732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).