N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride

C19H23ClFN3O3S — CID 119294488

IUPACN-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC(C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O3S.ClH/c20-15-6-8-17(9-7-15)27(25,26)22-16-10-12-23(13-11-16)19(24)18(21)14-4-2-1-3-5-14;/h1-9,16,18,22H,10-13,21H2;1H
InChIKeyPCHKGKFRPAIFNH-UHFFFAOYSA-N
MW427.93 g/mol
LogP2.22
Rot. Bonds5

About N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride

N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119294488) has the molecular formula C19H23ClFN3O3S and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
PubChem CID119294488
Molecular FormulaC19H23ClFN3O3S
Molecular Weight427.93 g/mol
Exact Mass427.11
IUPAC NameN-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC(C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O3S.ClH/c20-15-6-8-17(9-7-15)27(25,26)22-16-10-12-23(13-11-16)19(24)18(21)14-4-2-1-3-5-14;/h1-9,16,18,22H,10-13,21H2;1H
InChIKeyPCHKGKFRPAIFNH-UHFFFAOYSA-N
XLogP2.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-phenylacetamide
CID 37222509
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 120984468
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465
4-fluoro-N-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]benzenesulfonamide
CID 34340124
N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862580
N-[1-(2-cyclobutyloxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 86971710
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
4-fluoro-N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 60511292

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride (CID 119294488) is N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride is Cl.NC(C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is PCHKGKFRPAIFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S.ClH/c20-15-6-8-17(9-7-15)27(25,26)22-16-10-12-23(13-11-16)19(24)18(21)14-4-2-1-3-5-14;/h1-9,16,18,22H,10-13,21H2;1H.
What are the key properties of N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride?
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 427.93 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119294488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).