[(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium

C15H17ClF3N2O3S+ — CID 2468113

IUPAC[(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C15H16ClF3N2O3S/c1-21(2)13(14-4-3-7-24-14)9-20-25(22,23)10-5-6-12(16)11(8-10)15(17,18)19/h3-8,13,20H,9H2,1-2H3/p+1/t13-/m0/s1
InChIKeyYHMWGXYETFTREW-ZDUSSCGKSA-O
MW397.83 g/mol
LogP2.12
Rot. Bonds6

About [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium

[(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium (PubChem CID 2468113) has the molecular formula C15H17ClF3N2O3S+ and a molecular weight of 397.83 g/mol. Its IUPAC name is [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium
PubChem CID2468113
Molecular FormulaC15H17ClF3N2O3S+
Molecular Weight397.83 g/mol
Exact Mass397.06
IUPAC Name[(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C15H16ClF3N2O3S/c1-21(2)13(14-4-3-7-24-14)9-20-25(22,23)10-5-6-12(16)11(8-10)15(17,18)19/h3-8,13,20H,9H2,1-2H3/p+1/t13-/m0/s1
InChIKeyYHMWGXYETFTREW-ZDUSSCGKSA-O
XLogP2.12
TPSA63.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121197330
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43074811
4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55352604
4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40775182
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191347
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The IUPAC name of [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium (CID 2468113) is [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium is C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The InChIKey is YHMWGXYETFTREW-ZDUSSCGKSA-O. The full InChI is InChI=1S/C15H16ClF3N2O3S/c1-21(2)13(14-4-3-7-24-14)9-20-25(22,23)10-5-6-12(16)11(8-10)15(17,18)19/h3-8,13,20H,9H2,1-2H3/p+1/t13-/m0/s1.
What are the key properties of [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium?
[(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium has a molecular weight of 397.83 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 2468113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).