N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C10H13F3N2O2S — CID 167065322

IUPACN-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCNCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O2S/c1-14-7-15-18(16,17)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,14-15H,6-7H2,1H3
InChIKeyUKDGQLXBJCYLSS-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.30
Rot. Bonds5

About N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 167065322) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID167065322
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCNCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O2S/c1-14-7-15-18(16,17)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,14-15H,6-7H2,1H3
InChIKeyUKDGQLXBJCYLSS-UHFFFAOYSA-N
XLogP1.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796438
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71798515
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90576082
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 97417537
N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71802980
N-(3-hydroxy-3-thiophen-3-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121132253
1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]benzene
CID 177388771
N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 86266238
methyl 4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71786831

Frequently Asked Questions

What is the IUPAC name of N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 167065322) is N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CNCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is UKDGQLXBJCYLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-14-7-15-18(16,17)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,14-15H,6-7H2,1H3.
What are the key properties of N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 167065322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).