2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride

C10H10Cl2FNO3S — CID 142460598

IUPAC2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCS(=O)(=O)F
InChIInChI=1S/C10H10Cl2FNO3S/c11-8-2-1-7(5-9(8)12)6-10(15)14-3-4-18(13,16)17/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyZNJKIFFBBHOVOX-UHFFFAOYSA-N
MW314.17 g/mol
LogP1.95
Rot. Bonds5

About 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride

2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride (PubChem CID 142460598) has the molecular formula C10H10Cl2FNO3S and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride
PubChem CID142460598
Molecular FormulaC10H10Cl2FNO3S
Molecular Weight314.17 g/mol
Exact Mass312.97
IUPAC Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCS(=O)(=O)F
InChIInChI=1S/C10H10Cl2FNO3S/c11-8-2-1-7(5-9(8)12)6-10(15)14-3-4-18(13,16)17/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyZNJKIFFBBHOVOX-UHFFFAOYSA-N
XLogP1.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride (CID 142460598) is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride is O=C(Cc1ccc(Cl)c(Cl)c1)NCCS(=O)(=O)F.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride?
The InChIKey is ZNJKIFFBBHOVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO3S/c11-8-2-1-7(5-9(8)12)6-10(15)14-3-4-18(13,16)17/h1-2,5H,3-4,6H2,(H,14,15).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride?
2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride has a molecular weight of 314.17 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride is sourced from PubChem (CID 142460598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).