2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C19H32N2O2S — CID 1085512

IUPAC2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H32N2O2S/c1-13(2)15-9-8-14(3)17(10-15)24(22,23)20-16-11-18(4,5)21-19(6,7)12-16/h8-10,13,16,20-21H,11-12H2,1-7H3
InChIKeyWYKFFZQRMCMHMK-UHFFFAOYSA-N
MW352.54 g/mol
LogP3.71
Rot. Bonds4

About 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 1085512) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID1085512
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC Name2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H32N2O2S/c1-13(2)15-9-8-14(3)17(10-15)24(22,23)20-16-11-18(4,5)21-19(6,7)12-16/h8-10,13,16,20-21H,11-12H2,1-7H3
InChIKeyWYKFFZQRMCMHMK-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 1085512) is 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is WYKFFZQRMCMHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-13(2)15-9-8-14(3)17(10-15)24(22,23)20-16-11-18(4,5)21-19(6,7)12-16/h8-10,13,16,20-21H,11-12H2,1-7H3.
What are the key properties of 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 352.54 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1085512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).