4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C15H14FNO3S — CID 2077663

IUPAC4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-11(18)13-4-8-15(9-5-13)21(19,20)17-10-12-2-6-14(16)7-3-12/h2-9,17H,10H2,1H3
InChIKeyYDVGJYFZJBEFKO-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.51
Rot. Bonds5

About 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide

4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 2077663) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID2077663
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-11(18)13-4-8-15(9-5-13)21(19,20)17-10-12-2-6-14(16)7-3-12/h2-9,17H,10H2,1H3
InChIKeyYDVGJYFZJBEFKO-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 2077663) is 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is YDVGJYFZJBEFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-11(18)13-4-8-15(9-5-13)21(19,20)17-10-12-2-6-14(16)7-3-12/h2-9,17H,10H2,1H3.
What are the key properties of 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 307.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 2077663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).