N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide

C20H24FN3O4S — CID 91026759

IUPACN-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(c1cccc(F)c1)(C1CCNCC1)S(N)(=O)=O
InChIInChI=1S/C20H24FN3O4S/c1-28-18-8-3-2-7-17(18)19(25)24-20(29(22,26)27,14-9-11-23-12-10-14)15-5-4-6-16(21)13-15/h2-8,13-14,23H,9-12H2,1H3,(H,24,25)(H2,22,26,27)
InChIKeyPSIQTYPSTAITOY-UHFFFAOYSA-N
MW421.49 g/mol
LogP1.71
Rot. Bonds6

About N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide

N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide (PubChem CID 91026759) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide
PubChem CID91026759
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(c1cccc(F)c1)(C1CCNCC1)S(N)(=O)=O
InChIInChI=1S/C20H24FN3O4S/c1-28-18-8-3-2-7-17(18)19(25)24-20(29(22,26)27,14-9-11-23-12-10-14)15-5-4-6-16(21)13-15/h2-8,13-14,23H,9-12H2,1H3,(H,24,25)(H2,22,26,27)
InChIKeyPSIQTYPSTAITOY-UHFFFAOYSA-N
XLogP1.71
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide?
The IUPAC name of N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide (CID 91026759) is N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide?
The canonical SMILES for N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(c1cccc(F)c1)(C1CCNCC1)S(N)(=O)=O.
What is the InChIKey of N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide?
The InChIKey is PSIQTYPSTAITOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-28-18-8-3-2-7-17(18)19(25)24-20(29(22,26)27,14-9-11-23-12-10-14)15-5-4-6-16(21)13-15/h2-8,13-14,23H,9-12H2,1H3,(H,24,25)(H2,22,26,27).
What are the key properties of N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide?
N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide has a molecular weight of 421.49 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide is sourced from PubChem (CID 91026759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).