N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride

C19H23ClFN3O3S — CID 119294484

IUPACN-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S.ClH/c20-16-5-7-18(8-6-16)27(25,26)22-17-9-11-23(12-10-17)19(24)15-3-1-14(13-21)2-4-15;/h1-8,17,22H,9-13,21H2;1H
InChIKeyXFRICIRXSQSHBZ-UHFFFAOYSA-N
MW427.93 g/mol
LogP2.29
Rot. Bonds5

About N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride

N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119294484) has the molecular formula C19H23ClFN3O3S and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
PubChem CID119294484
Molecular FormulaC19H23ClFN3O3S
Molecular Weight427.93 g/mol
Exact Mass427.11
IUPAC NameN-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S.ClH/c20-16-5-7-18(8-6-16)27(25,26)22-17-9-11-23(12-10-17)19(24)15-3-1-14(13-21)2-4-15;/h1-8,17,22H,9-13,21H2;1H
InChIKeyXFRICIRXSQSHBZ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 38814852
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
CID 30797122
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
[4-(aminomethyl)phenyl]-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119274730

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride (CID 119294484) is N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride is Cl.NCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is XFRICIRXSQSHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S.ClH/c20-16-5-7-18(8-6-16)27(25,26)22-17-9-11-23(12-10-17)19(24)15-3-1-14(13-21)2-4-15;/h1-8,17,22H,9-13,21H2;1H.
What are the key properties of N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride?
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 427.93 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119294484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).