N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

C18H21ClFN3O3S — CID 119422130

IUPACN-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O3S.ClH/c19-14-5-1-4-8-17(14)26(24,25)22-11-9-13(10-12-22)18(23)21-16-7-3-2-6-15(16)20;/h1-8,13H,9-12,20H2,(H,21,23);1H
InChIKeyXHUJSGMYGIGGSY-UHFFFAOYSA-N
MW413.90 g/mol
LogP2.87
Rot. Bonds4

About N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119422130) has the molecular formula C18H21ClFN3O3S and a molecular weight of 413.90 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119422130
Molecular FormulaC18H21ClFN3O3S
Molecular Weight413.90 g/mol
Exact Mass413.10
IUPAC NameN-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O3S.ClH/c19-14-5-1-4-8-17(14)26(24,25)22-11-9-13(10-12-22)18(23)21-16-7-3-2-6-15(16)20;/h1-8,13H,9-12,20H2,(H,21,23);1H
InChIKeyXHUJSGMYGIGGSY-UHFFFAOYSA-N
XLogP2.87
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 32558972
N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24635780
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
methyl 2-[4-[(2-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 8780417
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
N-(5-chloro-2-phenoxyphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26185187
N-(2-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46665454
1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119450805

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (CID 119422130) is N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is Cl.Nc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XHUJSGMYGIGGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S.ClH/c19-14-5-1-4-8-17(14)26(24,25)22-11-9-13(10-12-22)18(23)21-16-7-3-2-6-15(16)20;/h1-8,13H,9-12,20H2,(H,21,23);1H.
What are the key properties of N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 413.90 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119422130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).