2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide

C15H11ClF3NO2S — CID 71283389

IUPAC2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)c1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO2S/c16-11-2-1-3-13(8-11)23(22)9-14(21)20-12-6-4-10(5-7-12)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyGMNLWGBESPBBCN-UHFFFAOYSA-N
MW361.77 g/mol
LogP4.11
Rot. Bonds4

About 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide

2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 71283389) has the molecular formula C15H11ClF3NO2S and a molecular weight of 361.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID71283389
Molecular FormulaC15H11ClF3NO2S
Molecular Weight361.77 g/mol
Exact Mass361.02
IUPAC Name2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)c1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO2S/c16-11-2-1-3-13(8-11)23(22)9-14(21)20-12-6-4-10(5-7-12)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyGMNLWGBESPBBCN-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide
CID 71283350
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516
2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide
CID 64691051
N-(2-chlorophenyl)-2-[(S)-(3-chlorophenyl)sulfinyl]acetamide
CID 40520627
3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109033349
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
1-chloro-3-(2,2,2-trifluoroethylsulfinyl)benzene
CID 174056486
2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100738649
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821
2-(2-chloro-6-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962141
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113201563
2-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15907736

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide (CID 71283389) is 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CS(=O)c1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GMNLWGBESPBBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2S/c16-11-2-1-3-13(8-11)23(22)9-14(21)20-12-6-4-10(5-7-12)15(17,18)19/h1-8H,9H2,(H,20,21).
What are the key properties of 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 361.77 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 71283389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).