N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide

C15H11ClF3NO3S — CID 1488185

IUPACN-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClF3NO3S/c16-12-6-1-2-7-13(12)20-14(21)9-24(22,23)11-5-3-4-10(8-11)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyJJMLDLFOVYEWCU-UHFFFAOYSA-N
MW377.77 g/mol
LogP3.77
Rot. Bonds4

About N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide

N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide (PubChem CID 1488185) has the molecular formula C15H11ClF3NO3S and a molecular weight of 377.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide
PubChem CID1488185
Molecular FormulaC15H11ClF3NO3S
Molecular Weight377.77 g/mol
Exact Mass377.01
IUPAC NameN-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClF3NO3S/c16-12-6-1-2-7-13(12)20-14(21)9-24(22,23)11-5-3-4-10(8-11)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyJJMLDLFOVYEWCU-UHFFFAOYSA-N
XLogP3.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide
CID 44569508
N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 716758
N-(2,4-dichlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 1488228
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfinyl]acetamide
CID 4358481
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 4441219
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4870003
N-(4-chloro-3-(trifluoromethyl)phenyl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 25181480
N1-(2,3,4-trifluorophenyl)-2-[(4-methylphenyl)sulfonyl]acetamide
CID 2800907
N-(4-chlorophenyl)-2-(phenylsulfonyl)acetamide
CID 892271

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide (CID 1488185) is N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide is O=C(CS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide?
The InChIKey is JJMLDLFOVYEWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3S/c16-12-6-1-2-7-13(12)20-14(21)9-24(22,23)11-5-3-4-10(8-11)15(17,18)19/h1-8H,9H2,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide?
N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide has a molecular weight of 377.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide is sourced from PubChem (CID 1488185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).