4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C17H27ClN2O2S — CID 9264334

IUPAC4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1Cl
InChIInChI=1S/C17H27ClN2O2S/c1-11-8-15(12(2)7-14(11)18)23(21,22)19-13-9-16(3,4)20-17(5,6)10-13/h7-8,13,19-20H,9-10H2,1-6H3
InChIKeyUHUNXZBXCCVDLJ-UHFFFAOYSA-N
MW358.94 g/mol
LogP3.54
Rot. Bonds3

About 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 9264334) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID9264334
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC Name4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1Cl
InChIInChI=1S/C17H27ClN2O2S/c1-11-8-15(12(2)7-14(11)18)23(21,22)19-13-9-16(3,4)20-17(5,6)10-13/h7-8,13,19-20H,9-10H2,1-6H3
InChIKeyUHUNXZBXCCVDLJ-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 9264334) is 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is UHUNXZBXCCVDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2S/c1-11-8-15(12(2)7-14(11)18)23(21,22)19-13-9-16(3,4)20-17(5,6)10-13/h7-8,13,19-20H,9-10H2,1-6H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 358.94 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 9264334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).