1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C13H17FN2O4S — CID 850037

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H17FN2O4S/c1-20-11-3-2-10(14)8-12(11)21(18,19)16-6-4-9(5-7-16)13(15)17/h2-3,8-9H,4-7H2,1H3,(H2,15,17)
InChIKeyBIJZEEWDNNKSMK-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.72
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide

1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 850037) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID850037
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H17FN2O4S/c1-20-11-3-2-10(14)8-12(11)21(18,19)16-6-4-9(5-7-16)13(15)17/h2-3,8-9H,4-7H2,1H3,(H2,15,17)
InChIKeyBIJZEEWDNNKSMK-UHFFFAOYSA-N
XLogP0.72
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 850037) is 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(F)cc1S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BIJZEEWDNNKSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-20-11-3-2-10(14)8-12(11)21(18,19)16-6-4-9(5-7-16)13(15)17/h2-3,8-9H,4-7H2,1H3,(H2,15,17).
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 850037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).