N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride

C16H27ClN2O3S — CID 25162940

IUPACN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CC(C)(C)N(O)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-12-6-8-14(9-7-12)22(20,21)17-13-10-15(2,3)18(19)16(4,5)11-13;/h6-9,13,17,19H,10-11H2,1-5H3;1H
InChIKeyVTSDZEMYFWHUII-UHFFFAOYSA-N
MW362.92 g/mol
LogP3.11
Rot. Bonds3

About N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride

N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 25162940) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride
PubChem CID25162940
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CC(C)(C)N(O)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-12-6-8-14(9-7-12)22(20,21)17-13-10-15(2,3)18(19)16(4,5)11-13;/h6-9,13,17,19H,10-11H2,1-5H3;1H
InChIKeyVTSDZEMYFWHUII-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride (CID 25162940) is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2CC(C)(C)N(O)C(C)(C)C2)cc1.Cl.
What is the InChIKey of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is VTSDZEMYFWHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-12-6-8-14(9-7-12)22(20,21)17-13-10-15(2,3)18(19)16(4,5)11-13;/h6-9,13,17,19H,10-11H2,1-5H3;1H.
What are the key properties of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride?
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 25162940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).