[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

C16H19ClFN2O2S+ — CID 9191387

IUPAC[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H18ClFN2O2S/c1-20(2)11-13-5-3-12(4-6-13)10-19-23(21,22)16-8-7-14(17)9-15(16)18/h3-9,19H,10-11H2,1-2H3/p+1
InChIKeyRAZCGUPDEQBOGF-UHFFFAOYSA-O
MW357.86 g/mol
LogP1.60
Rot. Bonds6

About [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9191387) has the molecular formula C16H19ClFN2O2S+ and a molecular weight of 357.86 g/mol. Its IUPAC name is [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9191387
Molecular FormulaC16H19ClFN2O2S+
Molecular Weight357.86 g/mol
Exact Mass357.08
IUPAC Name[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H18ClFN2O2S/c1-20(2)11-13-5-3-12(4-6-13)10-19-23(21,22)16-8-7-14(17)9-15(16)18/h3-9,19H,10-11H2,1-2H3/p+1
InChIKeyRAZCGUPDEQBOGF-UHFFFAOYSA-O
XLogP1.60
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
4-chloro-2-fluoro-N-[[3-(propan-2-ylamino)phenyl]methyl]benzenesulfonamide
CID 71855196
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755068
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191347
dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191339
dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191357
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3332822

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (CID 9191387) is [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is RAZCGUPDEQBOGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClFN2O2S/c1-20(2)11-13-5-3-12(4-6-13)10-19-23(21,22)16-8-7-14(17)9-15(16)18/h3-9,19H,10-11H2,1-2H3/p+1.
What are the key properties of [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 357.86 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9191387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).