N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide

C10H10F3NO4S — CID 19696713

IUPACN-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(OC(F)(F)F)c(C=O)c1)S(C)(=O)=O
InChIInChI=1S/C10H10F3NO4S/c1-14(19(2,16)17)8-3-4-9(7(5-8)6-15)18-10(11,12)13/h3-6H,1-2H3
InChIKeyOPLVXDIHJDRAMA-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.79
Rot. Bonds4

About N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide

N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide (PubChem CID 19696713) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide
PubChem CID19696713
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC NameN-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(OC(F)(F)F)c(C=O)c1)S(C)(=O)=O
InChIInChI=1S/C10H10F3NO4S/c1-14(19(2,16)17)8-3-4-9(7(5-8)6-15)18-10(11,12)13/h3-6H,1-2H3
InChIKeyOPLVXDIHJDRAMA-UHFFFAOYSA-N
XLogP1.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide (CID 19696713) is N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide is CN(c1ccc(OC(F)(F)F)c(C=O)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide?
The InChIKey is OPLVXDIHJDRAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-14(19(2,16)17)8-3-4-9(7(5-8)6-15)18-10(11,12)13/h3-6H,1-2H3.
What are the key properties of N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide?
N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide has a molecular weight of 297.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-formyl-4-(trifluoromethoxy)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 19696713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).