2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide

C12H19NO3S — CID 44723629

IUPAC2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1C(O)C(C)(C)C
InChIInChI=1S/C12H19NO3S/c1-12(2,3)11(14)9-7-5-6-8-10(9)17(15,16)13-4/h5-8,11,13-14H,1-4H3
InChIKeyDSNODYVYPBHREU-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.67
Rot. Bonds3

About 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide

2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide (PubChem CID 44723629) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide
PubChem CID44723629
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1C(O)C(C)(C)C
InChIInChI=1S/C12H19NO3S/c1-12(2,3)11(14)9-7-5-6-8-10(9)17(15,16)13-4/h5-8,11,13-14H,1-4H3
InChIKeyDSNODYVYPBHREU-UHFFFAOYSA-N
XLogP1.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide 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 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide (CID 44723629) is 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1C(O)C(C)(C)C.
What is the InChIKey of 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide?
The InChIKey is DSNODYVYPBHREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,3)11(14)9-7-5-6-8-10(9)17(15,16)13-4/h5-8,11,13-14H,1-4H3.
What are the key properties of 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide?
2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 44723629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).