2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

C15H14FNO4S — CID 1486369

IUPAC2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-13-6-4-12(5-7-13)17-15(18)10-22(19,20)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyNXZAHAGLVKJQQO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (PubChem CID 1486369) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
PubChem CID1486369
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-13-6-4-12(5-7-13)17-15(18)10-22(19,20)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyNXZAHAGLVKJQQO-UHFFFAOYSA-N
XLogP2.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (CID 1486369) is 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is NXZAHAGLVKJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-21-13-6-4-12(5-7-13)17-15(18)10-22(19,20)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1486369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).