N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide

C16H16FNO3S — CID 5016299

IUPACN-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
SMILESCCCC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3S/c1-2-3-16(19)12-4-8-14(9-5-12)18-22(20,21)15-10-6-13(17)7-11-15/h4-11,18H,2-3H2,1H3
InChIKeyDUDNGZRNJKVMBV-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.61
Rot. Bonds6

About N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide

N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 5016299) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
PubChem CID5016299
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
SMILESCCCC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3S/c1-2-3-16(19)12-4-8-14(9-5-12)18-22(20,21)15-10-6-13(17)7-11-15/h4-11,18H,2-3H2,1H3
InChIKeyDUDNGZRNJKVMBV-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605
N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide
CID 4737379
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
N-[2-(4-butanoylphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 70422383
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 19594335
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430

Frequently Asked Questions

What is the IUPAC name of N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide (CID 5016299) is N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide is CCCC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is DUDNGZRNJKVMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-2-3-16(19)12-4-8-14(9-5-12)18-22(20,21)15-10-6-13(17)7-11-15/h4-11,18H,2-3H2,1H3.
What are the key properties of N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide?
N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 321.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 5016299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).