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

C17H19F3N2O2S2 — CID 44568325

IUPACN-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide
SMILESCN(C)Cc1cc(NS(C)(=O)=O)ccc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O2S2/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
InChIKeyDKXQXLBXXKLLSH-UHFFFAOYSA-N
MW404.48 g/mol
LogP4.29
Rot. Bonds6

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

N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide (PubChem CID 44568325) has the molecular formula C17H19F3N2O2S2 and a molecular weight of 404.48 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide
PubChem CID44568325
Molecular FormulaC17H19F3N2O2S2
Molecular Weight404.48 g/mol
Exact Mass404.08
IUPAC NameN-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide
SMILESCN(C)Cc1cc(NS(C)(=O)=O)ccc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O2S2/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
InChIKeyDKXQXLBXXKLLSH-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-trifluoromethyl-phenylamine
CID 3302814
N,N-dimethyl-2-(2-amino-4-methylphenylthio)benzylamine
CID 10084648
2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluoromethyl-phenylamine
CID 10017115
2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-fluoro-ethyl)-phenylamine
CID 11483535
2-(2-((Dimethylamino)methyl)-4-fluorophenylthio)-5-methylbenzenamine
CID 23626085
2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-vinyl-phenylamine
CID 10062443
2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(3-fluoro-propyl)-phenylamine
CID 10313840
2-(2-Dimethylaminomethyl-phenylsulfanyl)-4-fluoro-5-methyl-phenylamine
CID 11293593
N-[4-[2-[2-[4-(methanesulfonamido)phenyl]sulfanylethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645106
N-[4-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 2542281
2-(2-((Dimethylamino)methyl)phenylsulfinyl)-5-methylbenzenamine
CID 44408412
N-(3-((methylamino)methyl)-4-(4-(methylthio)phenylthio)phenyl)methanesulfonamide
CID 44568349

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide (CID 44568325) is N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide is CN(C)Cc1cc(NS(C)(=O)=O)ccc1Sc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide?
The InChIKey is DKXQXLBXXKLLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S2/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)phenyl]sulfanylphenyl]methanesulfonamide?
N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanesulfonamide has a molecular weight of 404.48 g/mol, XLogP of 4.29, 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)phenyl]sulfanylphenyl]methanesulfonamide is sourced from PubChem (CID 44568325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).