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

C17H20N2O4S2 — CID 43816572

IUPAC4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H20N2O4S2/c18-24(20,21)16-8-10-17(11-9-16)25(22,23)19-12-4-7-15(13-19)14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12-13H2,(H2,18,20,21)
InChIKeyMWHZHIBYYQPXRR-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.90
Rot. Bonds4

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

4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 43816572) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID43816572
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H20N2O4S2/c18-24(20,21)16-8-10-17(11-9-16)25(22,23)19-12-4-7-15(13-19)14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12-13H2,(H2,18,20,21)
InChIKeyMWHZHIBYYQPXRR-UHFFFAOYSA-N
XLogP1.90
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide (CID 43816572) is 4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is MWHZHIBYYQPXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c18-24(20,21)16-8-10-17(11-9-16)25(22,23)19-12-4-7-15(13-19)14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12-13H2,(H2,18,20,21).
What are the key properties of 4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide?
4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 43816572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).