4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide

C15H21FN2O3S — CID 7423331

IUPAC4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide
SMILESCC1CCN(S(=O)(=O)CCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-12-6-9-18(10-7-12)22(20,21)11-8-17-15(19)13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyFHKVYXSNAZEVEZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.62
Rot. Bonds5

About 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide

4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide (PubChem CID 7423331) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide
PubChem CID7423331
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide
SMILESCC1CCN(S(=O)(=O)CCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-12-6-9-18(10-7-12)22(20,21)11-8-17-15(19)13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyFHKVYXSNAZEVEZ-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide (CID 7423331) is 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide is CC1CCN(S(=O)(=O)CCNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide?
The InChIKey is FHKVYXSNAZEVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-12-6-9-18(10-7-12)22(20,21)11-8-17-15(19)13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide?
4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide has a molecular weight of 328.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 7423331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).