2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide

C20H24FN3O3S — CID 8781350

IUPAC2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C20H24FN3O3S/c1-23-13-11-16(12-14-23)24(2)28(26,27)17-9-7-15(8-10-17)22-20(25)18-5-3-4-6-19(18)21/h3-10,16H,11-14H2,1-2H3,(H,22,25)
InChIKeyAPIDFLMWGASETC-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.79
Rot. Bonds5

About 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide

2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 8781350) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID8781350
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C20H24FN3O3S/c1-23-13-11-16(12-14-23)24(2)28(26,27)17-9-7-15(8-10-17)22-20(25)18-5-3-4-6-19(18)21/h3-10,16H,11-14H2,1-2H3,(H,22,25)
InChIKeyAPIDFLMWGASETC-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide (CID 8781350) is 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide is CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)CC1.
What is the InChIKey of 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is APIDFLMWGASETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-23-13-11-16(12-14-23)24(2)28(26,27)17-9-7-15(8-10-17)22-20(25)18-5-3-4-6-19(18)21/h3-10,16H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide?
2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 8781350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).