N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide

C15H20F3NO3S — CID 71686952

IUPACN-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(CC1(C)CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3S/c1-14(7-9-22-10-8-14)11-19(2)23(20,21)13-5-3-12(4-6-13)15(16,17)18/h3-6H,7-11H2,1-2H3
InChIKeyVPELDSGZKMMYOK-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.14
Rot. Bonds4

About N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide

N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 71686952) has the molecular formula C15H20F3NO3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID71686952
Molecular FormulaC15H20F3NO3S
Molecular Weight351.39 g/mol
Exact Mass351.11
IUPAC NameN-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(CC1(C)CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3S/c1-14(7-9-22-10-8-14)11-19(2)23(20,21)13-5-3-12(4-6-13)15(16,17)18/h3-6H,7-11H2,1-2H3
InChIKeyVPELDSGZKMMYOK-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Toluene-4-sulfonyl)-[1,3]oxazinane
CID 959536
N-Methyl-N-[(oxan-4-YL)methyl]-4-(trifluoromethyl)benzene-1-sulfonamide
CID 91905233
N-Methyl-N-[(oxan-4-YL)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 91905256
1-[(4-Methylphenyl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 2929930
4-((2-Methoxyethoxy)methyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49677834
4-Methoxy-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49720663
4-Fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 63713192
2-Fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 63713361
N-Methyl-N-[(oxan-4-YL)methyl]benzenesulfonamide
CID 64417440
2,4-Difluoro-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686922
4-Fluoro-3-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686923
3,4-Difluoro-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686926

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 71686952) is N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide is CN(CC1(C)CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VPELDSGZKMMYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3S/c1-14(7-9-22-10-8-14)11-19(2)23(20,21)13-5-3-12(4-6-13)15(16,17)18/h3-6H,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71686952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).