N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C20H23F3N2O3S — CID 24815540

IUPACN-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C20H23F3N2O3S/c1-2-25-11-12-28-19(13-25)16-5-9-18(10-6-16)24-29(26,27)14-15-3-7-17(8-4-15)20(21,22)23/h3-10,19,24H,2,11-14H2,1H3
InChIKeyCJGHYLNIOBMHDM-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.04
Rot. Bonds6

About N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 24815540) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID24815540
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C20H23F3N2O3S/c1-2-25-11-12-28-19(13-25)16-5-9-18(10-6-16)24-29(26,27)14-15-3-7-17(8-4-15)20(21,22)23/h3-10,19,24H,2,11-14H2,1H3
InChIKeyCJGHYLNIOBMHDM-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 24815540) is N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2)C1.
What is the InChIKey of N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is CJGHYLNIOBMHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-2-25-11-12-28-19(13-25)16-5-9-18(10-6-16)24-29(26,27)14-15-3-7-17(8-4-15)20(21,22)23/h3-10,19,24H,2,11-14H2,1H3.
What are the key properties of N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 428.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 24815540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).