2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid

C19H23NO4S — CID 19104275

IUPAC2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CCC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-4-10-17(11-5-14)25(23,24)20-16-8-6-15(7-9-16)12-13-19(2,3)18(21)22/h4-11,20H,12-13H2,1-3H3,(H,21,22)
InChIKeyLAZVSJKHOWQSCL-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.84
Rot. Bonds7

About 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid

2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid (PubChem CID 19104275) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid
PubChem CID19104275
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CCC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-4-10-17(11-5-14)25(23,24)20-16-8-6-15(7-9-16)12-13-19(2,3)18(21)22/h4-11,20H,12-13H2,1-3H3,(H,21,22)
InChIKeyLAZVSJKHOWQSCL-UHFFFAOYSA-N
XLogP3.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic 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 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid (CID 19104275) is 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(CCC(C)(C)C(=O)O)cc2)cc1.
What is the InChIKey of 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid?
The InChIKey is LAZVSJKHOWQSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-4-10-17(11-5-14)25(23,24)20-16-8-6-15(7-9-16)12-13-19(2,3)18(21)22/h4-11,20H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid?
2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid has a molecular weight of 361.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid is sourced from PubChem (CID 19104275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).