2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide

C16H26N2O4S — CID 112504854

IUPAC2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(C)(C)N2CCCC2)c1
InChIInChI=1S/C16H26N2O4S/c1-16(2,18-9-5-6-10-18)12-17-23(19,20)15-11-13(21-3)7-8-14(15)22-4/h7-8,11,17H,5-6,9-10,12H2,1-4H3
InChIKeyYXAJPCXCCKSSPJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.86
Rot. Bonds7

About 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide

2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 112504854) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID112504854
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(C)(C)N2CCCC2)c1
InChIInChI=1S/C16H26N2O4S/c1-16(2,18-9-5-6-10-18)12-17-23(19,20)15-11-13(21-3)7-8-14(15)22-4/h7-8,11,17H,5-6,9-10,12H2,1-4H3
InChIKeyYXAJPCXCCKSSPJ-UHFFFAOYSA-N
XLogP1.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 97023558
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736
2,5-dimethoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60530202
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94025297
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 90567703
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 90497578
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-2,5-dimethoxybenzenesulfonamide
CID 112991875

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 112504854) is 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCC(C)(C)N2CCCC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is YXAJPCXCCKSSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-16(2,18-9-5-6-10-18)12-17-23(19,20)15-11-13(21-3)7-8-14(15)22-4/h7-8,11,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide?
2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 112504854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).