N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide

C15H24N2O4S — CID 95571348

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H24N2O4S/c1-4-17-9-5-6-12(17)11-16-22(18,19)15-10-13(20-2)7-8-14(15)21-3/h7-8,10,12,16H,4-6,9,11H2,1-3H3/t12-/m1/s1
InChIKeyNIUYUGOFBIFLKQ-GFCCVEGCSA-N
MW328.43 g/mol
LogP1.47
Rot. Bonds7

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 95571348) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID95571348
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H24N2O4S/c1-4-17-9-5-6-12(17)11-16-22(18,19)15-10-13(20-2)7-8-14(15)21-3/h7-8,10,12,16H,4-6,9,11H2,1-3H3/t12-/m1/s1
InChIKeyNIUYUGOFBIFLKQ-GFCCVEGCSA-N
XLogP1.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide
CID 1262968
3-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-4-methoxybenzamide
CID 2966184
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 90567703
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94025297
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 2989893
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
methyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 95068807
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 171911932
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 43109838
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504854

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide (CID 95571348) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide is CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is NIUYUGOFBIFLKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-17-9-5-6-12(17)11-16-22(18,19)15-10-13(20-2)7-8-14(15)21-3/h7-8,10,12,16H,4-6,9,11H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 95571348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).