2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C16H13ClF3NO3S — CID 2162964

IUPAC2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO3S/c17-13-7-6-12(16(18,19)20)8-14(13)21-15(22)10-25(23,24)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,22)
InChIKeyAADARSJGXPVAAC-UHFFFAOYSA-N
MW391.80 g/mol
LogP3.91
Rot. Bonds5

About 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2162964) has the molecular formula C16H13ClF3NO3S and a molecular weight of 391.80 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2162964
Molecular FormulaC16H13ClF3NO3S
Molecular Weight391.80 g/mol
Exact Mass391.03
IUPAC Name2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO3S/c17-13-7-6-12(16(18,19)20)8-14(13)21-15(22)10-25(23,24)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,22)
InChIKeyAADARSJGXPVAAC-UHFFFAOYSA-N
XLogP3.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
CID 4306506
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 113000076
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
CID 108984887
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126012783
N-benzyl-N'-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanediamide
CID 108961616
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
CID 108956408

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 2162964) is 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(CS(=O)(=O)Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AADARSJGXPVAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO3S/c17-13-7-6-12(16(18,19)20)8-14(13)21-15(22)10-25(23,24)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,22).
What are the key properties of 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 391.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2162964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).