2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone

C14H18F2N2O4S — CID 133425213

IUPAC2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2N2O4S/c1-17(10-13(19)18-6-8-22-9-7-18)11-2-4-12(5-3-11)23(20,21)14(15)16/h2-5,14H,6-10H2,1H3
InChIKeyAJQHMOKTKKRHJN-UHFFFAOYSA-N
MW348.37 g/mol
LogP0.98
Rot. Bonds5

About 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone

2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone (PubChem CID 133425213) has the molecular formula C14H18F2N2O4S and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone
PubChem CID133425213
Molecular FormulaC14H18F2N2O4S
Molecular Weight348.37 g/mol
Exact Mass348.10
IUPAC Name2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2N2O4S/c1-17(10-13(19)18-6-8-22-9-7-18)11-2-4-12(5-3-11)23(20,21)14(15)16/h2-5,14H,6-10H2,1H3
InChIKeyAJQHMOKTKKRHJN-UHFFFAOYSA-N
XLogP0.98
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone (CID 133425213) is 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone?
The InChIKey is AJQHMOKTKKRHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O4S/c1-17(10-13(19)18-6-8-22-9-7-18)11-2-4-12(5-3-11)23(20,21)14(15)16/h2-5,14H,6-10H2,1H3.
What are the key properties of 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone?
2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone has a molecular weight of 348.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)-N-methylanilino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 133425213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).