2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid

C24H23NO6S — CID 58948716

IUPAC2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid
SMILESCS(=O)(=O)c1ccc(OCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)cc1
InChIInChI=1S/C24H23NO6S/c1-32(28,29)19-10-7-17(8-11-19)30-13-4-14-31-18-9-12-21-20-5-2-3-6-22(20)25(16-24(26)27)23(21)15-18/h2-3,5-12,15H,4,13-14,16H2,1H3,(H,26,27)
InChIKeyJRUWLJWROZYZQG-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.13
Rot. Bonds9

About 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid

2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid (PubChem CID 58948716) has the molecular formula C24H23NO6S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid
PubChem CID58948716
Molecular FormulaC24H23NO6S
Molecular Weight453.52 g/mol
Exact Mass453.12
IUPAC Name2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid
SMILESCS(=O)(=O)c1ccc(OCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)cc1
InChIInChI=1S/C24H23NO6S/c1-32(28,29)19-10-7-17(8-11-19)30-13-4-14-31-18-9-12-21-20-5-2-3-6-22(20)25(16-24(26)27)23(21)15-18/h2-3,5-12,15H,4,13-14,16H2,1H3,(H,26,27)
InChIKeyJRUWLJWROZYZQG-UHFFFAOYSA-N
XLogP4.13
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic 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-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid?
The IUPAC name of 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid (CID 58948716) is 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid is CS(=O)(=O)c1ccc(OCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)cc1.
What is the InChIKey of 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid?
The InChIKey is JRUWLJWROZYZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6S/c1-32(28,29)19-10-7-17(8-11-19)30-13-4-14-31-18-9-12-21-20-5-2-3-6-22(20)25(16-24(26)27)23(21)15-18/h2-3,5-12,15H,4,13-14,16H2,1H3,(H,26,27).
What are the key properties of 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid?
2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid has a molecular weight of 453.52 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid is sourced from PubChem (CID 58948716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).