N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide

C16H15F3N2O4S — CID 86922473

IUPACN-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C16H15F3N2O4S/c1-10-14(20-11(2)22)7-4-8-15(10)21-26(23,24)13-6-3-5-12(9-13)25-16(17,18)19/h3-9,21H,1-2H3,(H,20,22)
InChIKeySAJGNVBGECWERQ-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.65
Rot. Bonds5

About N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide

N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide (PubChem CID 86922473) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
PubChem CID86922473
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC NameN-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C16H15F3N2O4S/c1-10-14(20-11(2)22)7-4-8-15(10)21-26(23,24)13-6-3-5-12(9-13)25-16(17,18)19/h3-9,21H,1-2H3,(H,20,22)
InChIKeySAJGNVBGECWERQ-UHFFFAOYSA-N
XLogP3.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 135379015
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 35546488
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide (CID 86922473) is N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1C.
What is the InChIKey of N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is SAJGNVBGECWERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-10-14(20-11(2)22)7-4-8-15(10)21-26(23,24)13-6-3-5-12(9-13)25-16(17,18)19/h3-9,21H,1-2H3,(H,20,22).
What are the key properties of N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide?
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 388.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 86922473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).