N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C13H18ClF3N2O3S — CID 23724447

IUPACN-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S.ClH/c14-13(15,16)11-2-1-3-12(10-11)22(19,20)17-4-5-18-6-8-21-9-7-18;/h1-3,10,17H,4-9H2;1H
InChIKeyNOPFNNRSRFWPIW-UHFFFAOYSA-N
MW374.81 g/mol
LogP1.74
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 23724447) has the molecular formula C13H18ClF3N2O3S and a molecular weight of 374.81 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID23724447
Molecular FormulaC13H18ClF3N2O3S
Molecular Weight374.81 g/mol
Exact Mass374.07
IUPAC NameN-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S.ClH/c14-13(15,16)11-2-1-3-12(10-11)22(19,20)17-4-5-18-6-8-21-9-7-18;/h1-3,10,17H,4-9H2;1H
InChIKeyNOPFNNRSRFWPIW-UHFFFAOYSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 23724447) is N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is NOPFNNRSRFWPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S.ClH/c14-13(15,16)11-2-1-3-12(10-11)22(19,20)17-4-5-18-6-8-21-9-7-18;/h1-3,10,17H,4-9H2;1H.
What are the key properties of N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 374.81 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 23724447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).