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

C20H34N2O3S — CID 1091003

IUPAC2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H34N2O3S/c1-13(2)16-10-18(17(25-8)9-14(16)3)26(23,24)21-15-11-19(4,5)22-20(6,7)12-15/h9-10,13,15,21-22H,11-12H2,1-8H3
InChIKeyAILWQZIMWGWINN-UHFFFAOYSA-N
MW382.57 g/mol
LogP3.71
Rot. Bonds5

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

2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 1091003) has the molecular formula C20H34N2O3S and a molecular weight of 382.57 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID1091003
Molecular FormulaC20H34N2O3S
Molecular Weight382.57 g/mol
Exact Mass382.23
IUPAC Name2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H34N2O3S/c1-13(2)16-10-18(17(25-8)9-14(16)3)26(23,24)21-15-11-19(4,5)22-20(6,7)12-15/h9-10,13,15,21-22H,11-12H2,1-8H3
InChIKeyAILWQZIMWGWINN-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 1091003) is 2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is AILWQZIMWGWINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3S/c1-13(2)16-10-18(17(25-8)9-14(16)3)26(23,24)21-15-11-19(4,5)22-20(6,7)12-15/h9-10,13,15,21-22H,11-12H2,1-8H3.
What are the key properties of 2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 382.57 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1091003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).