2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C20H34N2O3S — CID 2147485

IUPAC2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCCOc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C
InChIInChI=1S/C20H34N2O3S/c1-8-9-25-17-10-15(3)18(11-14(17)2)26(23,24)21-16-12-19(4,5)22-20(6,7)13-16/h10-11,16,21-22H,8-9,12-13H2,1-7H3
InChIKeyYZJSZRDASPLOSH-UHFFFAOYSA-N
MW382.57 g/mol
LogP3.68
Rot. Bonds6

About 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 2147485) has the molecular formula C20H34N2O3S and a molecular weight of 382.57 g/mol. Its IUPAC name is 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID2147485
Molecular FormulaC20H34N2O3S
Molecular Weight382.57 g/mol
Exact Mass382.23
IUPAC Name2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCCOc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C
InChIInChI=1S/C20H34N2O3S/c1-8-9-25-17-10-15(3)18(11-14(17)2)26(23,24)21-16-12-19(4,5)22-20(6,7)13-16/h10-11,16,21-22H,8-9,12-13H2,1-7H3
InChIKeyYZJSZRDASPLOSH-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 580300
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
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
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 934725
4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991857
4-Methoxy-2,5-dimethyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 653046
1-[(2,5-Dimethyl-4-propoxyphenyl)sulfonyl]-4-methylpiperazine
CID 2223170
N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide
CID 2304526
4-[(2,5-Dimethyl-4-propoxyphenyl)sulfonyl]morpholine
CID 2221971

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 2147485) is 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is CCCOc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C.
What is the InChIKey of 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is YZJSZRDASPLOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3S/c1-8-9-25-17-10-15(3)18(11-14(17)2)26(23,24)21-16-12-19(4,5)22-20(6,7)13-16/h10-11,16,21-22H,8-9,12-13H2,1-7H3.
What are the key properties of 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 382.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 2147485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).