N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide

C16H16ClNO3S — CID 3727676

IUPACN-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
SMILESCCCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO3S/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
InChIKeyRAHDCPUESGZKDI-UHFFFAOYSA-N
MW337.83 g/mol
LogP4.12
Rot. Bonds6

About N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide

N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide (PubChem CID 3727676) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
PubChem CID3727676
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
SMILESCCCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO3S/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
InChIKeyRAHDCPUESGZKDI-UHFFFAOYSA-N
XLogP4.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
CID 5016299
4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 19594335
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
CID 94621798
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46819760

Frequently Asked Questions

What is the IUPAC name of N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide (CID 3727676) is N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide is CCCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide?
The InChIKey is RAHDCPUESGZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/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-chlorobenzenesulfonamide?
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide has a molecular weight of 337.83 g/mol, XLogP of 4.12, 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-chlorobenzenesulfonamide is sourced from PubChem (CID 3727676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).