N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide

C22H23FN4O4S — CID 32512650

IUPACN-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide
SMILESN#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H23FN4O4S/c23-18-6-2-16(3-7-18)21(28)26-19-10-14-27(15-11-19)22(29)17-4-8-20(9-5-17)32(30,31)25-13-1-12-24/h2-9,19,25H,1,10-11,13-15H2,(H,26,28)
InChIKeyKMZLVYBQXWFGNV-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.05
Rot. Bonds7

About N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 32512650) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID32512650
Molecular FormulaC22H23FN4O4S
Molecular Weight458.52 g/mol
Exact Mass458.14
IUPAC NameN-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide
SMILESN#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H23FN4O4S/c23-18-6-2-16(3-7-18)21(28)26-19-10-14-27(15-11-19)22(29)17-4-8-20(9-5-17)32(30,31)25-13-1-12-24/h2-9,19,25H,1,10-11,13-15H2,(H,26,28)
InChIKeyKMZLVYBQXWFGNV-UHFFFAOYSA-N
XLogP2.05
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55815739
N-(2-cyanoethyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55379416
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-N-(2-cyanoethyl)benzenesulfonamide
CID 32758925
4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
CID 32507574
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
N-(2-cyanoethyl)-4-[(2R)-2-cyclohexylmorpholine-4-carbonyl]benzenesulfonamide
CID 97305932
N-(2-cyanoethyl)-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 86954626
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
1-(4-fluorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17224019

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide (CID 32512650) is N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide is N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is KMZLVYBQXWFGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S/c23-18-6-2-16(3-7-18)21(28)26-19-10-14-27(15-11-19)22(29)17-4-8-20(9-5-17)32(30,31)25-13-1-12-24/h2-9,19,25H,1,10-11,13-15H2,(H,26,28).
What are the key properties of N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 458.52 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 32512650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).