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

C15H22ClF3N2O2S — CID 3528675

IUPAC2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC)CCN(CC)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H22ClF3N2O2S/c1-4-20(5-2)9-10-21(6-3)24(22,23)14-11-12(15(17,18)19)7-8-13(14)16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyPHTUUGLCLQTPMN-UHFFFAOYSA-N
MW386.87 g/mol
LogP3.71
Rot. Bonds8

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

2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 3528675) has the molecular formula C15H22ClF3N2O2S and a molecular weight of 386.87 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID3528675
Molecular FormulaC15H22ClF3N2O2S
Molecular Weight386.87 g/mol
Exact Mass386.10
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC)CCN(CC)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H22ClF3N2O2S/c1-4-20(5-2)9-10-21(6-3)24(22,23)14-11-12(15(17,18)19)7-8-13(14)16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyPHTUUGLCLQTPMN-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.87
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
CID 74229500
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
CID 78902028
2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide
CID 55353365
N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 66184263
N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115319032
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115902653
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 18170868
4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31818714
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
sodium 2-chloro-5-(trifluoromethyl)benzenesulfonate
CID 50998749
2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
CID 35290992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide (CID 3528675) is 2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide is CCN(CC)CCN(CC)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PHTUUGLCLQTPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF3N2O2S/c1-4-20(5-2)9-10-21(6-3)24(22,23)14-11-12(15(17,18)19)7-8-13(14)16/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 386.87 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3528675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).