[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium

C17H19ClF3N2O2S+ — CID 9191347

IUPAC[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18ClF3N2O2S/c1-23(2)11-13-5-3-12(4-6-13)10-22-26(24,25)14-7-8-16(18)15(9-14)17(19,20)21/h3-9,22H,10-11H2,1-2H3/p+1
InChIKeyCFDSTLPGVNUSTO-UHFFFAOYSA-O
MW407.87 g/mol
LogP2.48
Rot. Bonds6

About [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium

[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9191347) has the molecular formula C17H19ClF3N2O2S+ and a molecular weight of 407.87 g/mol. Its IUPAC name is [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9191347
Molecular FormulaC17H19ClF3N2O2S+
Molecular Weight407.87 g/mol
Exact Mass407.08
IUPAC Name[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18ClF3N2O2S/c1-23(2)11-13-5-3-12(4-6-13)10-22-26(24,25)14-7-8-16(18)15(9-14)17(19,20)21/h3-9,22H,10-11H2,1-2H3/p+1
InChIKeyCFDSTLPGVNUSTO-UHFFFAOYSA-O
XLogP2.48
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3674738
4-bromo-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 5102695
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 26943535
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121197330
4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 43606545
4-chloro-N-[(E)-pent-3-enyl]-3-(trifluoromethyl)benzenesulfonamide
CID 115628739

Frequently Asked Questions

What is the IUPAC name of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium (CID 9191347) is [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is CFDSTLPGVNUSTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClF3N2O2S/c1-23(2)11-13-5-3-12(4-6-13)10-22-26(24,25)14-7-8-16(18)15(9-14)17(19,20)21/h3-9,22H,10-11H2,1-2H3/p+1.
What are the key properties of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 407.87 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9191347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).