5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide

C15H22N2O3S — CID 65387902

IUPAC5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CCCC2(C)C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H22N2O3S/c1-10-8-12(9-13(11(10)2)21(16,19)20)14(18)17-7-5-6-15(17,3)4/h8-9H,5-7H2,1-4H3,(H2,16,19,20)
InChIKeyGAAZQFZBOOLKMU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.97
Rot. Bonds2

About 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide

5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 65387902) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide
PubChem CID65387902
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CCCC2(C)C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H22N2O3S/c1-10-8-12(9-13(11(10)2)21(16,19)20)14(18)17-7-5-6-15(17,3)4/h8-9H,5-7H2,1-4H3,(H2,16,19,20)
InChIKeyGAAZQFZBOOLKMU-UHFFFAOYSA-N
XLogP1.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide (CID 65387902) is 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(C(=O)N2CCCC2(C)C)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is GAAZQFZBOOLKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-8-12(9-13(11(10)2)21(16,19)20)14(18)17-7-5-6-15(17,3)4/h8-9H,5-7H2,1-4H3,(H2,16,19,20).
What are the key properties of 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide?
5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 65387902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).