4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

C13H20N2O3S — CID 61465004

IUPAC4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NC2CCN(C)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(16)11-3-5-13(6-4-11)19(17,18)14-12-7-8-15(2)9-12/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyDAPSLCPJBYXZNE-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.72
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 61465004) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID61465004
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NC2CCN(C)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(16)11-3-5-13(6-4-11)19(17,18)14-12-7-8-15(2)9-12/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyDAPSLCPJBYXZNE-UHFFFAOYSA-N
XLogP0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide 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

4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465032
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 166308941
2-[4-[(1-methylpyrrolidin-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 79186151
3-(1-aminoethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61464998
4-[2-(methylamino)ethoxy]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052280
N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110736348
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
4-fluoro-3-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052530
4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62409796
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 83035231

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (CID 61465004) is 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)NC2CCN(C)C2)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is DAPSLCPJBYXZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(16)11-3-5-13(6-4-11)19(17,18)14-12-7-8-15(2)9-12/h3-6,10,12,14,16H,7-9H2,1-2H3.
What are the key properties of 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 61465004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).