2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide

C18H21N3O3S — CID 24687370

IUPAC2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C18H21N3O3S/c1-14-8-9-15(25(23,24)21-11-5-2-6-12-21)13-16(14)18(22)20-17-7-3-4-10-19-17/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,19,20,22)
InChIKeyCWIMRXQBMYNBNM-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide

2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide (PubChem CID 24687370) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
PubChem CID24687370
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C18H21N3O3S/c1-14-8-9-15(25(23,24)21-11-5-2-6-12-21)13-16(14)18(22)20-17-7-3-4-10-19-17/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,19,20,22)
InChIKeyCWIMRXQBMYNBNM-UHFFFAOYSA-N
XLogP2.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide (CID 24687370) is 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccn1.
What is the InChIKey of 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
The InChIKey is CWIMRXQBMYNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-8-9-15(25(23,24)21-11-5-2-6-12-21)13-16(14)18(22)20-17-7-3-4-10-19-17/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,19,20,22).
What are the key properties of 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide has a molecular weight of 359.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 24687370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).