4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid

C19H23NO4S — CID 16768903

IUPAC4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)ccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO4S/c1-19(2,3)15-9-6-13(7-10-15)16-11-8-14(18(21)22)12-17(16)25(23,24)20(4)5/h6-12H,1-5H3,(H,21,22)
InChIKeyYPMWJMYELNBTNY-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.60
Rot. Bonds4

About 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid

4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid (PubChem CID 16768903) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid
PubChem CID16768903
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)ccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO4S/c1-19(2,3)15-9-6-13(7-10-15)16-11-8-14(18(21)22)12-17(16)25(23,24)20(4)5/h6-12H,1-5H3,(H,21,22)
InChIKeyYPMWJMYELNBTNY-UHFFFAOYSA-N
XLogP3.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid 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-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid (CID 16768903) is 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid is CN(C)S(=O)(=O)c1cc(C(=O)O)ccc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid?
The InChIKey is YPMWJMYELNBTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-19(2,3)15-9-6-13(7-10-15)16-11-8-14(18(21)22)12-17(16)25(23,24)20(4)5/h6-12H,1-5H3,(H,21,22).
What are the key properties of 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid?
4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid has a molecular weight of 361.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid is sourced from PubChem (CID 16768903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).