2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C14H18F3NO4S — CID 90554910

IUPAC2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H18F3NO4S/c1-21-12-4-2-3-5-13(12)23(19,20)18(10-14(15,16)17)11-6-8-22-9-7-11/h2-5,11H,6-10H2,1H3
InChIKeyTUOIVUUEYXGILD-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.43
Rot. Bonds5

About 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 90554910) has the molecular formula C14H18F3NO4S and a molecular weight of 353.36 g/mol. Its IUPAC name is 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID90554910
Molecular FormulaC14H18F3NO4S
Molecular Weight353.36 g/mol
Exact Mass353.09
IUPAC Name2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H18F3NO4S/c1-21-12-4-2-3-5-13(12)23(19,20)18(10-14(15,16)17)11-6-8-22-9-7-11/h2-5,11H,6-10H2,1H3
InChIKeyTUOIVUUEYXGILD-UHFFFAOYSA-N
XLogP2.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 90554881
3,4-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554887
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 71889824
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554922
N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 60580456
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 90554867
N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 91939249
2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90610877
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 90607203
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
CID 90554912
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 90554910) is 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is COc1ccccc1S(=O)(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is TUOIVUUEYXGILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO4S/c1-21-12-4-2-3-5-13(12)23(19,20)18(10-14(15,16)17)11-6-8-22-9-7-11/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 353.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 90554910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).