5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

C15H22N2O4S — CID 72866566

IUPAC5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2C[C@@H](C)[C@@](C)(O)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H22N2O4S/c1-9-5-12(6-13(11(9)3)22(16,20)21)14(18)17-7-10(2)15(4,19)8-17/h5-6,10,19H,7-8H2,1-4H3,(H2,16,20,21)/t10-,15+/m1/s1
InChIKeyZGBVBKOHHMNYJB-BMIGLBTASA-N
MW326.42 g/mol
LogP0.79
Rot. Bonds2

About 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 72866566) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
PubChem CID72866566
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2C[C@@H](C)[C@@](C)(O)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H22N2O4S/c1-9-5-12(6-13(11(9)3)22(16,20)21)14(18)17-7-10(2)15(4,19)8-17/h5-6,10,19H,7-8H2,1-4H3,(H2,16,20,21)/t10-,15+/m1/s1
InChIKeyZGBVBKOHHMNYJB-BMIGLBTASA-N
XLogP0.79
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (CID 72866566) is 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is Cc1cc(C(=O)N2C[C@@H](C)[C@@](C)(O)C2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is ZGBVBKOHHMNYJB-BMIGLBTASA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-9-5-12(6-13(11(9)3)22(16,20)21)14(18)17-7-10(2)15(4,19)8-17/h5-6,10,19H,7-8H2,1-4H3,(H2,16,20,21)/t10-,15+/m1/s1.
What are the key properties of 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 72866566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).