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

C13H17Cl2F3N2O3S — CID 126456709

IUPAC4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O3S.ClH/c14-12-2-1-10(9-11(12)13(15,16)17)23(20,21)18-3-4-19-5-7-22-8-6-19;/h1-2,9,18H,3-8H2;1H
InChIKeyPBISAYSWMRKLRG-UHFFFAOYSA-N
MW409.26 g/mol
LogP2.39
Rot. Bonds5

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

4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 126456709) has the molecular formula C13H17Cl2F3N2O3S and a molecular weight of 409.26 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID126456709
Molecular FormulaC13H17Cl2F3N2O3S
Molecular Weight409.26 g/mol
Exact Mass408.03
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O3S.ClH/c14-12-2-1-10(9-11(12)13(15,16)17)23(20,21)18-3-4-19-5-7-22-8-6-19;/h1-2,9,18H,3-8H2;1H
InChIKeyPBISAYSWMRKLRG-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 126456709) is 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is PBISAYSWMRKLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O3S.ClH/c14-12-2-1-10(9-11(12)13(15,16)17)23(20,21)18-3-4-19-5-7-22-8-6-19;/h1-2,9,18H,3-8H2;1H.
What are the key properties of 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 409.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 126456709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).