N-phenyl-3-piperidin-1-ylsulfonylbenzamide

C18H20N2O3S — CID 558837

IUPACN-phenyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N2O3S/c21-18(19-16-9-3-1-4-10-16)15-8-7-11-17(14-15)24(22,23)20-12-5-2-6-13-20/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,19,21)
InChIKeyPRQMAHOKDFXZSS-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.11
Rot. Bonds4

About N-phenyl-3-piperidin-1-ylsulfonylbenzamide

N-phenyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 558837) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-phenyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-phenyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID558837
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-phenyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N2O3S/c21-18(19-16-9-3-1-4-10-16)15-8-7-11-17(14-15)24(22,23)20-12-5-2-6-13-20/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,19,21)
InChIKeyPRQMAHOKDFXZSS-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-phenyl-3-piperidin-1-ylsulfonylbenzamide (CID 558837) is N-phenyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-phenyl-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PRQMAHOKDFXZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(19-16-9-3-1-4-10-16)15-8-7-11-17(14-15)24(22,23)20-12-5-2-6-13-20/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,19,21).
What are the key properties of N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
N-phenyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 558837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).