4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide

C18H23NO2S — CID 8504699

IUPAC4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H23NO2S/c1-5-13(2)16-9-11-17(12-10-16)22(20,21)19-18-14(3)7-6-8-15(18)4/h6-13,19H,5H2,1-4H3/t13-/m1/s1
InChIKeyURPBUVRAZBOCIL-CYBMUJFWSA-N
MW317.45 g/mol
LogP4.62
Rot. Bonds5

About 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide

4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide (PubChem CID 8504699) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
PubChem CID8504699
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H23NO2S/c1-5-13(2)16-9-11-17(12-10-16)22(20,21)19-18-14(3)7-6-8-15(18)4/h6-13,19H,5H2,1-4H3/t13-/m1/s1
InChIKeyURPBUVRAZBOCIL-CYBMUJFWSA-N
XLogP4.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide 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 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide (CID 8504699) is 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide is CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide?
The InChIKey is URPBUVRAZBOCIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-5-13(2)16-9-11-17(12-10-16)22(20,21)19-18-14(3)7-6-8-15(18)4/h6-13,19H,5H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide?
4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 8504699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).