N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

C14H22N2O5S2 — CID 3184653

IUPACN-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H22N2O5S2/c1-21-12-9-15-22(17,18)13-5-7-14(8-6-13)23(19,20)16-10-3-2-4-11-16/h5-8,15H,2-4,9-12H2,1H3
InChIKeyYMMHMFYDGSPEDJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.79
Rot. Bonds7

About N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 3184653) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID3184653
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC NameN-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H22N2O5S2/c1-21-12-9-15-22(17,18)13-5-7-14(8-6-13)23(19,20)16-10-3-2-4-11-16/h5-8,15H,2-4,9-12H2,1H3
InChIKeyYMMHMFYDGSPEDJ-UHFFFAOYSA-N
XLogP0.79
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.79
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 N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 3184653) is N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is COCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is YMMHMFYDGSPEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-21-12-9-15-22(17,18)13-5-7-14(8-6-13)23(19,20)16-10-3-2-4-11-16/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 3184653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).