N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide

C17H19F3N2O3S — CID 10110820

IUPACN-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
SMILESCN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O3S/c1-22(2)11-12-10-14(21-26(3,23)24)6-9-16(12)25-15-7-4-13(5-8-15)17(18,19)20/h4-10,21H,11H2,1-3H3
InChIKeyFCXKPNHKJPFYSO-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.93
Rot. Bonds6

About N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide

N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide (PubChem CID 10110820) has the molecular formula C17H19F3N2O3S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
PubChem CID10110820
Molecular FormulaC17H19F3N2O3S
Molecular Weight388.41 g/mol
Exact Mass388.11
IUPAC NameN-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
SMILESCN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O3S/c1-22(2)11-12-10-14(21-26(3,23)24)6-9-16(12)25-15-7-4-13(5-8-15)17(18,19)20/h4-10,21H,11H2,1-3H3
InChIKeyFCXKPNHKJPFYSO-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide (CID 10110820) is N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide is CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
The InChIKey is FCXKPNHKJPFYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3S/c1-22(2)11-12-10-14(21-26(3,23)24)6-9-16(12)25-15-7-4-13(5-8-15)17(18,19)20/h4-10,21H,11H2,1-3H3.
What are the key properties of N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide has a molecular weight of 388.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 10110820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).