2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

C15H24N2O4S2 — CID 78843443

IUPAC2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCCCC1
InChIInChI=1S/C15H24N2O4S2/c1-22(18,19)14-8-3-4-9-15(14)23(20,21)16-10-7-13-17-11-5-2-6-12-17/h3-4,8-9,16H,2,5-7,10-13H2,1H3
InChIKeyAZNBTFKNUOTIEE-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.24
Rot. Bonds7

About 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 78843443) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID78843443
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCCCC1
InChIInChI=1S/C15H24N2O4S2/c1-22(18,19)14-8-3-4-9-15(14)23(20,21)16-10-7-13-17-11-5-2-6-12-17/h3-4,8-9,16H,2,5-7,10-13H2,1H3
InChIKeyAZNBTFKNUOTIEE-UHFFFAOYSA-N
XLogP1.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (CID 78843443) is 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCCCC1.
What is the InChIKey of 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is AZNBTFKNUOTIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-22(18,19)14-8-3-4-9-15(14)23(20,21)16-10-7-13-17-11-5-2-6-12-17/h3-4,8-9,16H,2,5-7,10-13H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 360.50 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 78843443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).