[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

C16H19Cl2N2O2S+ — CID 9191359

IUPAC[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(2)11-13-5-3-12(4-6-13)10-19-23(21,22)16-9-14(17)7-8-15(16)18/h3-9,19H,10-11H2,1-2H3/p+1
InChIKeyDQYMWSYJYYFDEE-UHFFFAOYSA-O
MW374.31 g/mol
LogP2.12
Rot. Bonds6

About [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9191359) has the molecular formula C16H19Cl2N2O2S+ and a molecular weight of 374.31 g/mol. Its IUPAC name is [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9191359
Molecular FormulaC16H19Cl2N2O2S+
Molecular Weight374.31 g/mol
Exact Mass373.05
IUPAC Name[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(2)11-13-5-3-12(4-6-13)10-19-23(21,22)16-9-14(17)7-8-15(16)18/h3-9,19H,10-11H2,1-2H3/p+1
InChIKeyDQYMWSYJYYFDEE-UHFFFAOYSA-O
XLogP2.12
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191387
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191347
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132664382
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
CID 86952203
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 99951065
2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196553
dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191357
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755

Frequently Asked Questions

What is the IUPAC name of [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (CID 9191359) is [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is DQYMWSYJYYFDEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-20(2)11-13-5-3-12(4-6-13)10-19-23(21,22)16-9-14(17)7-8-15(16)18/h3-9,19H,10-11H2,1-2H3/p+1.
What are the key properties of [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 374.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9191359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).