1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide

C13H18FN3O3S — CID 61138213

IUPAC1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H18FN3O3S/c1-8-2-3-9(13(16)18)7-17(8)21(19,20)12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18)
InChIKeySUJBUXSJPPJTOC-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.68
Rot. Bonds3

About 1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide

1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide (PubChem CID 61138213) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
PubChem CID61138213
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H18FN3O3S/c1-8-2-3-9(13(16)18)7-17(8)21(19,20)12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18)
InChIKeySUJBUXSJPPJTOC-UHFFFAOYSA-N
XLogP0.68
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.68
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-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide (CID 61138213) is 1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
The InChIKey is SUJBUXSJPPJTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-8-2-3-9(13(16)18)7-17(8)21(19,20)12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18).
What are the key properties of 1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide?
1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 61138213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).