N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C11H11F3N2O2S — CID 15615993

IUPACN-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCN(CC#N)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2S/c1-16(6-5-15)19(17,18)8-9-3-2-4-10(7-9)11(12,13)14/h2-4,7H,6,8H2,1H3
InChIKeyBYWGOXUJMAIHLO-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.99
Rot. Bonds4

About N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 15615993) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID15615993
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC NameN-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCN(CC#N)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2S/c1-16(6-5-15)19(17,18)8-9-3-2-4-10(7-9)11(12,13)14/h2-4,7H,6,8H2,1H3
InChIKeyBYWGOXUJMAIHLO-UHFFFAOYSA-N
XLogP1.99
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 15615993) is N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is CN(CC#N)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is BYWGOXUJMAIHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-16(6-5-15)19(17,18)8-9-3-2-4-10(7-9)11(12,13)14/h2-4,7H,6,8H2,1H3.
What are the key properties of N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 292.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 15615993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).