4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide

C16H16FNO3S — CID 7510309

IUPAC4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3S/c1-12(19)14-4-8-16(9-5-14)22(20,21)18-11-10-13-2-6-15(17)7-3-13/h2-9,18H,10-11H2,1H3
InChIKeyNNRQGOCFJDLDRQ-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.55
Rot. Bonds6

About 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide

4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 7510309) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID7510309
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3S/c1-12(19)14-4-8-16(9-5-14)22(20,21)18-11-10-13-2-6-15(17)7-3-13/h2-9,18H,10-11H2,1H3
InChIKeyNNRQGOCFJDLDRQ-UHFFFAOYSA-N
XLogP2.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
N-[2-(4-butanoylphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 70422383
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
CID 109058149
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789307
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 25403468
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (CID 7510309) is 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is NNRQGOCFJDLDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-12(19)14-4-8-16(9-5-14)22(20,21)18-11-10-13-2-6-15(17)7-3-13/h2-9,18H,10-11H2,1H3.
What are the key properties of 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 321.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7510309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).