N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide

C20H26N2O4S2 — CID 3226868

IUPACN-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-16-7-6-8-17(2)22(16)28(25,26)20-13-11-19(12-14-20)27(23,24)21-15-18-9-4-3-5-10-18/h3-5,9-14,16-17,21H,6-8,15H2,1-2H3
InChIKeyHVISMKKYMZVUSQ-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.12
Rot. Bonds6

About N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide

N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 3226868) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID3226868
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-16-7-6-8-17(2)22(16)28(25,26)20-13-11-19(12-14-20)27(23,24)21-15-18-9-4-3-5-10-18/h3-5,9-14,16-17,21H,6-8,15H2,1-2H3
InChIKeyHVISMKKYMZVUSQ-UHFFFAOYSA-N
XLogP3.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide (CID 3226868) is N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide is CC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is HVISMKKYMZVUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-16-7-6-8-17(2)22(16)28(25,26)20-13-11-19(12-14-20)27(23,24)21-15-18-9-4-3-5-10-18/h3-5,9-14,16-17,21H,6-8,15H2,1-2H3.
What are the key properties of N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide?
N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 422.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 3226868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).