4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

C15H20ClF3N2O3S — CID 55520974

IUPAC4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1CN(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C15H20ClF3N2O3S/c1-10-8-21(9-11(2)24-10)6-5-20-25(22,23)12-3-4-14(16)13(7-12)15(17,18)19/h3-4,7,10-11,20H,5-6,8-9H2,1-2H3
InChIKeyFGQVTVUODVGLDR-UHFFFAOYSA-N
MW400.85 g/mol
LogP2.75
Rot. Bonds5

About 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 55520974) has the molecular formula C15H20ClF3N2O3S and a molecular weight of 400.85 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID55520974
Molecular FormulaC15H20ClF3N2O3S
Molecular Weight400.85 g/mol
Exact Mass400.08
IUPAC Name4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1CN(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C15H20ClF3N2O3S/c1-10-8-21(9-11(2)24-10)6-5-20-25(22,23)12-3-4-14(16)13(7-12)15(17,18)19/h3-4,7,10-11,20H,5-6,8-9H2,1-2H3
InChIKeyFGQVTVUODVGLDR-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
CID 55521871
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
4-chloro-N-[(E)-pent-3-enyl]-3-(trifluoromethyl)benzenesulfonamide
CID 115628739
4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 43606545
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
4-chloro-N-(3-piperidin-1-ium-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 8823983
4-chloro-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 78838120
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 55520811
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 55520974) is 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is CC1CN(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1.
What is the InChIKey of 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FGQVTVUODVGLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O3S/c1-10-8-21(9-11(2)24-10)6-5-20-25(22,23)12-3-4-14(16)13(7-12)15(17,18)19/h3-4,7,10-11,20H,5-6,8-9H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 400.85 g/mol, XLogP of 2.75, 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-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55520974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).