N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide

C13H12F3NO3S2 — CID 52561453

IUPACN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H12F3NO3S2/c1-17(22(18,19)12-7-4-8-21-12)9-10-5-2-3-6-11(10)20-13(14,15)16/h2-8H,9H2,1H3
InChIKeyZJNZQVRMRCHNIW-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.47
Rot. Bonds5

About N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide

N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 52561453) has the molecular formula C13H12F3NO3S2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID52561453
Molecular FormulaC13H12F3NO3S2
Molecular Weight351.37 g/mol
Exact Mass351.02
IUPAC NameN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H12F3NO3S2/c1-17(22(18,19)12-7-4-8-21-12)9-10-5-2-3-6-11(10)20-13(14,15)16/h2-8H,9H2,1H3
InChIKeyZJNZQVRMRCHNIW-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 55681731
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
CID 53184966
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide
CID 31821752
N-methyl-2-(thiophene-2-carbonyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38274579
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 71984704
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoic acid
CID 60750528
1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 55542300

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide (CID 52561453) is N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide is CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is ZJNZQVRMRCHNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3S2/c1-17(22(18,19)12-7-4-8-21-12)9-10-5-2-3-6-11(10)20-13(14,15)16/h2-8H,9H2,1H3.
What are the key properties of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide?
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 351.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 52561453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).