2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide

C15H24N2O6S2 — CID 110633307

IUPAC2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H24N2O6S2/c1-22-9-10-23-11-12-24(18,19)16-14-5-4-6-15(13-14)25(20,21)17-7-2-3-8-17/h4-6,13,16H,2-3,7-12H2,1H3
InChIKeyVUFMBWWXEWUBPN-UHFFFAOYSA-N
MW392.50 g/mol
LogP0.88
Rot. Bonds10

About 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide

2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide (PubChem CID 110633307) has the molecular formula C15H24N2O6S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
PubChem CID110633307
Molecular FormulaC15H24N2O6S2
Molecular Weight392.50 g/mol
Exact Mass392.11
IUPAC Name2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H24N2O6S2/c1-22-9-10-23-11-12-24(18,19)16-14-5-4-6-15(13-14)25(20,21)17-7-2-3-8-17/h4-6,13,16H,2-3,7-12H2,1H3
InChIKeyVUFMBWWXEWUBPN-UHFFFAOYSA-N
XLogP0.88
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
CID 110312115
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 110423362
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 71903183
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8614711
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110623026

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide (CID 110633307) is 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide is COCCOCCS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide?
The InChIKey is VUFMBWWXEWUBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6S2/c1-22-9-10-23-11-12-24(18,19)16-14-5-4-6-15(13-14)25(20,21)17-7-2-3-8-17/h4-6,13,16H,2-3,7-12H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide?
2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 0.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide is sourced from PubChem (CID 110633307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).