2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid

C24H26FNO5S — CID 19782183

IUPAC2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C1CC=Cc2c(OCC(=O)O)cc3c(c21)CCCC3
InChIInChI=1S/C24H26FNO5S/c1-15(26-32(29,30)18-11-9-17(25)10-12-18)19-7-4-8-21-22(31-14-23(27)28)13-16-5-2-3-6-20(16)24(19)21/h4,8-13,15,19,26H,2-3,5-7,14H2,1H3,(H,27,28)
InChIKeyNVUSDHVOMJLILB-UHFFFAOYSA-N
MW459.54 g/mol
LogP4.04
Rot. Bonds7

About 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid

2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid (PubChem CID 19782183) has the molecular formula C24H26FNO5S and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid
PubChem CID19782183
Molecular FormulaC24H26FNO5S
Molecular Weight459.54 g/mol
Exact Mass459.15
IUPAC Name2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C1CC=Cc2c(OCC(=O)O)cc3c(c21)CCCC3
InChIInChI=1S/C24H26FNO5S/c1-15(26-32(29,30)18-11-9-17(25)10-12-18)19-7-4-8-21-22(31-14-23(27)28)13-16-5-2-3-6-20(16)24(19)21/h4,8-13,15,19,26H,2-3,5-7,14H2,1H3,(H,27,28)
InChIKeyNVUSDHVOMJLILB-UHFFFAOYSA-N
XLogP4.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]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-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid (CID 19782183) is 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid is CC(NS(=O)(=O)c1ccc(F)cc1)C1CC=Cc2c(OCC(=O)O)cc3c(c21)CCCC3.
What is the InChIKey of 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid?
The InChIKey is NVUSDHVOMJLILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO5S/c1-15(26-32(29,30)18-11-9-17(25)10-12-18)19-7-4-8-21-22(31-14-23(27)28)13-16-5-2-3-6-20(16)24(19)21/h4,8-13,15,19,26H,2-3,5-7,14H2,1H3,(H,27,28).
What are the key properties of 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid?
2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid has a molecular weight of 459.54 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-[(4-fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid is sourced from PubChem (CID 19782183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).