2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide

C9H7ClF3NO3S2 — CID 154309569

IUPAC2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO3S2/c10-6-1-3-7(4-2-6)18-5-8(15)14-19(16,17)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyOXMNRVIFWOTDKF-UHFFFAOYSA-N
MW333.74 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 154309569) has the molecular formula C9H7ClF3NO3S2 and a molecular weight of 333.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide
PubChem CID154309569
Molecular FormulaC9H7ClF3NO3S2
Molecular Weight333.74 g/mol
Exact Mass332.95
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO3S2/c10-6-1-3-7(4-2-6)18-5-8(15)14-19(16,17)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyOXMNRVIFWOTDKF-UHFFFAOYSA-N
XLogP2.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107846297
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
2-(4-chlorophenyl)sulfanyl-N'-(2,5-difluorophenyl)sulfonylacetohydrazide
CID 9237149
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 94844150
2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115877823
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide (CID 154309569) is 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide is O=C(CSc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is OXMNRVIFWOTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO3S2/c10-6-1-3-7(4-2-6)18-5-8(15)14-19(16,17)9(11,12)13/h1-4H,5H2,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 333.74 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 154309569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).