N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

C16H23FN2O3S — CID 6619154

IUPACN-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-3-12(2)18-16(20)15-6-4-5-11-19(15)23(21,22)14-9-7-13(17)8-10-14/h7-10,12,15H,3-6,11H2,1-2H3,(H,18,20)
InChIKeyXVYUUWGJXHKQGW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.28
Rot. Bonds5

About N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 6619154) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID6619154
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-3-12(2)18-16(20)15-6-4-5-11-19(15)23(21,22)14-9-7-13(17)8-10-14/h7-10,12,15H,3-6,11H2,1-2H3,(H,18,20)
InChIKeyXVYUUWGJXHKQGW-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (CID 6619154) is N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is CCC(C)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is XVYUUWGJXHKQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-3-12(2)18-16(20)15-6-4-5-11-19(15)23(21,22)14-9-7-13(17)8-10-14/h7-10,12,15H,3-6,11H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 6619154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).