1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C14H19FN2O4S — CID 934597

IUPAC1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-2-21-13-9-11(3-4-12(13)15)22(19,20)17-7-5-10(6-8-17)14(16)18/h3-4,9-10H,2,5-8H2,1H3,(H2,16,18)
InChIKeyBQUOKTMPMPAYNG-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.11
Rot. Bonds5

About 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide

1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 934597) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID934597
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-2-21-13-9-11(3-4-12(13)15)22(19,20)17-7-5-10(6-8-17)14(16)18/h3-4,9-10H,2,5-8H2,1H3,(H2,16,18)
InChIKeyBQUOKTMPMPAYNG-UHFFFAOYSA-N
XLogP1.11
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxy-4-fluorophenyl)sulfonylazepane
CID 935230
1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 25252531
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818
1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 43845691
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide
CID 5058623
(2,4-dichlorophenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55335218
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 934597) is 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide is CCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1F.
What is the InChIKey of 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BQUOKTMPMPAYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-2-21-13-9-11(3-4-12(13)15)22(19,20)17-7-5-10(6-8-17)14(16)18/h3-4,9-10H,2,5-8H2,1H3,(H2,16,18).
What are the key properties of 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 934597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).