4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C16H25ClN2O3S — CID 580316

IUPAC4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl
InChIInChI=1S/C16H25ClN2O3S/c1-15(2)9-11(10-16(3,4)19-15)18-23(20,21)12-6-7-13(17)14(8-12)22-5/h6-8,11,18-19H,9-10H2,1-5H3
InChIKeyJLPWZOQJECBJFC-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.94
Rot. Bonds4

About 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 580316) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID580316
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl
InChIInChI=1S/C16H25ClN2O3S/c1-15(2)9-11(10-16(3,4)19-15)18-23(20,21)12-6-7-13(17)14(8-12)22-5/h6-8,11,18-19H,9-10H2,1-5H3
InChIKeyJLPWZOQJECBJFC-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 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 580316) is 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is JLPWZOQJECBJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-15(2)9-11(10-16(3,4)19-15)18-23(20,21)12-6-7-13(17)14(8-12)22-5/h6-8,11,18-19H,9-10H2,1-5H3.
What are the key properties of 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
4-chloro-3-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 4-chloro-3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 580316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).