2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide

C17H18FNO3S — CID 3269509

IUPAC2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c18-16-8-6-14(7-9-16)10-11-19-17(20)13-23(21,22)12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)
InChIKeyGPXMLAWAMKLZHH-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.10
Rot. Bonds7

About 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide

2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 3269509) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID3269509
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c18-16-8-6-14(7-9-16)10-11-19-17(20)13-23(21,22)12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)
InChIKeyGPXMLAWAMKLZHH-UHFFFAOYSA-N
XLogP2.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 3269509) is 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CS(=O)(=O)Cc1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is GPXMLAWAMKLZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-16-8-6-14(7-9-16)10-11-19-17(20)13-23(21,22)12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20).
What are the key properties of 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 3269509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).