N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide

C10H10F5NO2S — CID 58136897

IUPACN-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)=O)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C10H10F5NO2S/c1-6(17)8-3-9(16-7(2)18)5-10(4-8)19(11,12,13,14)15/h3-5H,1-2H3,(H,16,18)
InChIKeyCRRGTLZNCVPBIS-UHFFFAOYSA-N
MW303.25 g/mol
LogP4.51
Rot. Bonds3

About N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide

N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide (PubChem CID 58136897) has the molecular formula C10H10F5NO2S and a molecular weight of 303.25 g/mol. Its IUPAC name is N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
PubChem CID58136897
Molecular FormulaC10H10F5NO2S
Molecular Weight303.25 g/mol
Exact Mass303.04
IUPAC NameN-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)=O)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C10H10F5NO2S/c1-6(17)8-3-9(16-7(2)18)5-10(4-8)19(11,12,13,14)15/h3-5H,1-2H3,(H,16,18)
InChIKeyCRRGTLZNCVPBIS-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 673706
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CID 346202
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CID 731848
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CID 896529
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CID 2169834
CID 2169834
CID 468893
CID 468893
CID 13723641
CID 13723641
CID 898301
CID 898301
CID 211069
CID 211069
CID 776054
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CID 163646610
CID 163646610
CID 897846
CID 897846

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
The IUPAC name of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide (CID 58136897) is N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
The canonical SMILES for N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide is CC(=O)Nc1cc(C(C)=O)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
The InChIKey is CRRGTLZNCVPBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO2S/c1-6(17)8-3-9(16-7(2)18)5-10(4-8)19(11,12,13,14)15/h3-5H,1-2H3,(H,16,18).
What are the key properties of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide has a molecular weight of 303.25 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]acetamide is sourced from PubChem (CID 58136897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).