2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide

C16H14F3NO4S — CID 1488181

IUPAC2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO4S/c1-24-13-5-7-14(8-6-13)25(22,23)10-15(21)20-12-4-2-3-11(9-12)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLCUXJFXYOHOQIU-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.13
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1488181) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1488181
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC Name2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO4S/c1-24-13-5-7-14(8-6-13)25(22,23)10-15(21)20-12-4-2-3-11(9-12)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLCUXJFXYOHOQIU-UHFFFAOYSA-N
XLogP3.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 17192578
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 86992863
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
1-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 4123379
2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22304612
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
(2R)-1-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 41024699
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1488181) is 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(S(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LCUXJFXYOHOQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c1-24-13-5-7-14(8-6-13)25(22,23)10-15(21)20-12-4-2-3-11(9-12)16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 373.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1488181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).