N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide

C9H10F3NO3S — CID 145265613

IUPACN-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO3S/c1-13-17(14,15)6-7-2-4-8(5-3-7)16-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyOYSHAIWCBLOEDO-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.63
Rot. Bonds4

About N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide

N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide (PubChem CID 145265613) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
PubChem CID145265613
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC NameN-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO3S/c1-13-17(14,15)6-7-2-4-8(5-3-7)16-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyOYSHAIWCBLOEDO-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[4-(trifluoromethoxy)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

Related Compounds

N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 86807415
[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
CID 91020906
N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 100687501
2-methyl-1-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]propan-2-amine
CID 81189605
[4-(trifluoromethoxy)phenyl]methyl methanesulfonate
CID 21265728
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 137429571
N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60541692
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
1-methyl-3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]urea
CID 47384187

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide (CID 145265613) is N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide is CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The InChIKey is OYSHAIWCBLOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-13-17(14,15)6-7-2-4-8(5-3-7)16-9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 145265613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).