5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

C16H26ClN2O3S+ — CID 7290362

IUPAC5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(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/p+1
InChIKeyRUGGXMIJJGESET-UHFFFAOYSA-O
MW361.92 g/mol
LogP1.91
Rot. Bonds4

About 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide (PubChem CID 7290362) has the molecular formula C16H26ClN2O3S+ and a molecular weight of 361.92 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
PubChem CID7290362
Molecular FormulaC16H26ClN2O3S+
Molecular Weight361.92 g/mol
Exact Mass361.13
IUPAC Name5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(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/p+1
InChIKeyRUGGXMIJJGESET-UHFFFAOYSA-O
XLogP1.91
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 3487220
2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7450668
5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 91670076
CID 70601990
CID 70601990
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117179
2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 8721975
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-2-methoxy-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzenesulfonamide
CID 91910841
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 82345223
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide (CID 7290362) is 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The InChIKey is RUGGXMIJJGESET-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide has a molecular weight of 361.92 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide is sourced from PubChem (CID 7290362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).