N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide

C15H22N2O3S — CID 110871404

IUPACN-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C15H22N2O3S/c1-10-7-11(2)15(12(3)8-10)21(19,20)16-14-5-6-17(9-14)13(4)18/h7-8,14,16H,5-6,9H2,1-4H3
InChIKeyFVNHRYUZBNUKKT-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.51
Rot. Bonds3

About N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide

N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 110871404) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID110871404
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C15H22N2O3S/c1-10-7-11(2)15(12(3)8-10)21(19,20)16-14-5-6-17(9-14)13(4)18/h7-8,14,16H,5-6,9H2,1-4H3
InChIKeyFVNHRYUZBNUKKT-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide
CID 136543326
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
CID 110871416
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide
CID 112991968
2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
CID 46192720
N-(1,1-dioxothiolan-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 45154252
N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458647
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide (CID 110871404) is N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)C1.
What is the InChIKey of N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is FVNHRYUZBNUKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-7-11(2)15(12(3)8-10)21(19,20)16-14-5-6-17(9-14)13(4)18/h7-8,14,16H,5-6,9H2,1-4H3.
What are the key properties of N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 110871404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).