4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide

C12H18N2O5S2 — CID 71364076

IUPAC4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCOC1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C12H18N2O5S2/c1-19-10-3-2-8-14(9-10)21(17,18)12-6-4-11(5-7-12)20(13,15)16/h4-7,10H,2-3,8-9H2,1H3,(H2,13,15,16)
InChIKeyLQZYJWPEIFKHLT-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.13
Rot. Bonds4

About 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide

4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 71364076) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID71364076
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCOC1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C12H18N2O5S2/c1-19-10-3-2-8-14(9-10)21(17,18)12-6-4-11(5-7-12)20(13,15)16/h4-7,10H,2-3,8-9H2,1H3,(H2,13,15,16)
InChIKeyLQZYJWPEIFKHLT-UHFFFAOYSA-N
XLogP0.13
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide (CID 71364076) is 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide is COC1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is LQZYJWPEIFKHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-19-10-3-2-8-14(9-10)21(17,18)12-6-4-11(5-7-12)20(13,15)16/h4-7,10H,2-3,8-9H2,1H3,(H2,13,15,16).
What are the key properties of 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 71364076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).