4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C19H32N2O3S — CID 991857

IUPAC4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1C
InChIInChI=1S/C19H32N2O3S/c1-12-9-16(13(2)14(3)17(12)24-8)25(22,23)20-15-10-18(4,5)21-19(6,7)11-15/h9,15,20-21H,10-11H2,1-8H3
InChIKeyCZYYWBYHJCZSMY-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.21
Rot. Bonds4

About 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 991857) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID991857
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1C
InChIInChI=1S/C19H32N2O3S/c1-12-9-16(13(2)14(3)17(12)24-8)25(22,23)20-15-10-18(4,5)21-19(6,7)11-15/h9,15,20-21H,10-11H2,1-8H3
InChIKeyCZYYWBYHJCZSMY-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 9543487
4-Methoxy-2,3,5-trimethyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 4914479
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
1-[1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627888
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
5-Isopropyl-2-methoxy-4-methyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 1091003
2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 2147485
N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991848
4-Methoxy-2,5-dimethyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 653046
1-[(4-Methoxy-2,3,5-trimethylphenyl)sulfonyl]pyrrolidine
CID 972180

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 991857) is 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is CZYYWBYHJCZSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-12-9-16(13(2)14(3)17(12)24-8)25(22,23)20-15-10-18(4,5)21-19(6,7)11-15/h9,15,20-21H,10-11H2,1-8H3.
What are the key properties of 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 368.54 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 991857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).