2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide

C15H14FNO3S — CID 78761130

IUPAC2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c16-13-8-6-12(7-9-13)10-17-15(18)11-21(19,20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyYIDDTUYASSHYSX-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.92
Rot. Bonds5

About 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide

2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 78761130) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID78761130
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c16-13-8-6-12(7-9-13)10-17-15(18)11-21(19,20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyYIDDTUYASSHYSX-UHFFFAOYSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207572
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
2-[4-[4-[2-(benzylamino)-2-oxoethyl]phenyl]phenyl]sulfonylacetic acid
CID 515148
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28635589
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide
CID 43980674
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 78761130) is 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YIDDTUYASSHYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-13-8-6-12(7-9-13)10-17-15(18)11-21(19,20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 78761130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).