3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide

C24H25N3O3S — CID 3397598

IUPAC3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3c3cccnc3)cc2)c1
InChIInChI=1S/C24H25N3O3S/c1-18-6-4-7-19(16-18)24(28)26-21-10-12-22(13-11-21)31(29,30)27-15-3-2-9-23(27)20-8-5-14-25-17-20/h4-8,10-14,16-17,23H,2-3,9,15H2,1H3,(H,26,28)
InChIKeyZHJUSQNIRQGNAG-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.56
Rot. Bonds5

About 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide

3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 3397598) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID3397598
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3c3cccnc3)cc2)c1
InChIInChI=1S/C24H25N3O3S/c1-18-6-4-7-19(16-18)24(28)26-21-10-12-22(13-11-21)31(29,30)27-15-3-2-9-23(27)20-8-5-14-25-17-20/h4-8,10-14,16-17,23H,2-3,9,15H2,1H3,(H,26,28)
InChIKeyZHJUSQNIRQGNAG-UHFFFAOYSA-N
XLogP4.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 3397598) is 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3c3cccnc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is ZHJUSQNIRQGNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-18-6-4-7-19(16-18)24(28)26-21-10-12-22(13-11-21)31(29,30)27-15-3-2-9-23(27)20-8-5-14-25-17-20/h4-8,10-14,16-17,23H,2-3,9,15H2,1H3,(H,26,28).
What are the key properties of 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 435.55 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 3397598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).