1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide

C12H15ClFN3O3S — CID 43257287

IUPAC1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2cc(N)cc(Cl)c2F)C1
InChIInChI=1S/C12H15ClFN3O3S/c13-9-4-8(15)5-10(11(9)14)21(19,20)17-3-1-2-7(6-17)12(16)18/h4-5,7H,1-3,6,15H2,(H2,16,18)
InChIKeyJUESMYGIAARFKZ-UHFFFAOYSA-N
MW335.79 g/mol
LogP0.95
Rot. Bonds3

About 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide

1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 43257287) has the molecular formula C12H15ClFN3O3S and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID43257287
Molecular FormulaC12H15ClFN3O3S
Molecular Weight335.79 g/mol
Exact Mass335.05
IUPAC Name1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2cc(N)cc(Cl)c2F)C1
InChIInChI=1S/C12H15ClFN3O3S/c13-9-4-8(15)5-10(11(9)14)21(19,20)17-3-1-2-7(6-17)12(16)18/h4-5,7H,1-3,6,15H2,(H2,16,18)
InChIKeyJUESMYGIAARFKZ-UHFFFAOYSA-N
XLogP0.95
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 43257287) is 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide is NC(=O)C1CCCN(S(=O)(=O)c2cc(N)cc(Cl)c2F)C1.
What is the InChIKey of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is JUESMYGIAARFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O3S/c13-9-4-8(15)5-10(11(9)14)21(19,20)17-3-1-2-7(6-17)12(16)18/h4-5,7H,1-3,6,15H2,(H2,16,18).
What are the key properties of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide?
1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43257287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).