2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

C13H19Cl2F3N2O2S — CID 45262346

IUPAC2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCN(CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C13H18ClF3N2O2S.ClH/c1-3-19(4-2)8-7-18-22(20,21)12-9-10(13(15,16)17)5-6-11(12)14;/h5-6,9,18H,3-4,7-8H2,1-2H3;1H
InChIKeyVTYJNMGQJYWOFL-UHFFFAOYSA-N
MW395.27 g/mol
LogP3.40
Rot. Bonds7

About 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 45262346) has the molecular formula C13H19Cl2F3N2O2S and a molecular weight of 395.27 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID45262346
Molecular FormulaC13H19Cl2F3N2O2S
Molecular Weight395.27 g/mol
Exact Mass394.05
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCN(CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C13H18ClF3N2O2S.ClH/c1-3-19(4-2)8-7-18-22(20,21)12-9-10(13(15,16)17)5-6-11(12)14;/h5-6,9,18H,3-4,7-8H2,1-2H3;1H
InChIKeyVTYJNMGQJYWOFL-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 4833482
1-(4-Chloro-3-(trifluoromethyl)benzenesulfonyl)piperazine
CID 2443160
1-(4-Chlorophenyl)-N-[2-(Diethylamino)ethyl]methanesulfonamide
CID 71677773
N-[2-(Diethylamino)ethyl]-3-(Trifluoromethyl)benzenesulfonamide
CID 71677775
1-(2-Chloro-5-trifluoromethyl-benzenesulfonyl)-4-methyl-piperazine
CID 24746798
Diethyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]azanium
CID 78225464
2-chloro-N-methyl-5-(trifluoromethyl)benzene-1-sulfonamide
CID 738768
1-Chloro-2-[(4-methylpiperazinyl)sulfonyl]-4-(trifluoromethyl)benzene
CID 801304
1-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 801312
1-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-4-ethylpiperazine
CID 1190478
N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 45265632
1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium;hydrochloride
CID 45479738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 45262346) is 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is CCN(CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.Cl.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is VTYJNMGQJYWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2O2S.ClH/c1-3-19(4-2)8-7-18-22(20,21)12-9-10(13(15,16)17)5-6-11(12)14;/h5-6,9,18H,3-4,7-8H2,1-2H3;1H.
What are the key properties of 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 395.27 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 45262346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).