4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

C19H21FN2O4S — CID 26914637

IUPAC4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H21FN2O4S/c1-26-16-7-5-6-15(13-16)21-19(23)14-8-9-17(20)18(12-14)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyTVJAFRCMRMLRQD-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.26
Rot. Bonds5

About 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26914637) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26914637
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H21FN2O4S/c1-26-16-7-5-6-15(13-16)21-19(23)14-8-9-17(20)18(12-14)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyTVJAFRCMRMLRQD-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 26914637) is 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is COc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is TVJAFRCMRMLRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-26-16-7-5-6-15(13-16)21-19(23)14-8-9-17(20)18(12-14)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23).
What are the key properties of 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26914637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).