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

C16H25ClN2O3S — CID 579960

IUPAC5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H25ClN2O3S/c1-15(2)9-12(10-16(3,4)19-15)18-23(20,21)14-8-11(17)6-7-13(14)22-5/h6-8,12,18-19H,9-10H2,1-5H3
InChIKeyRUGGXMIJJGESET-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.94
Rot. Bonds4

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

5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 579960) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID579960
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H25ClN2O3S/c1-15(2)9-12(10-16(3,4)19-15)18-23(20,21)14-8-11(17)6-7-13(14)22-5/h6-8,12,18-19H,9-10H2,1-5H3
InChIKeyRUGGXMIJJGESET-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 579960) is 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is RUGGXMIJJGESET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-15(2)9-12(10-16(3,4)19-15)18-23(20,21)14-8-11(17)6-7-13(14)22-5/h6-8,12,18-19H,9-10H2,1-5H3.
What are the key properties of 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 360.91 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 579960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).