2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol

C24H21FN4O4S — CID 58885611

IUPAC2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol
SMILESCc1cc(Cc2nn[nH]n2)c2c(c1Oc1ccc(O)c(S(=O)(=O)c3ccc(F)cc3)c1)CCC2
InChIInChI=1S/C24H21FN4O4S/c1-14-11-15(12-23-26-28-29-27-23)19-3-2-4-20(19)24(14)33-17-7-10-21(30)22(13-17)34(31,32)18-8-5-16(25)6-9-18/h5-11,13,30H,2-4,12H2,1H3,(H,26,27,28,29)
InChIKeyGLMXKAYAKKNTJG-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol

2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol (PubChem CID 58885611) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol
PubChem CID58885611
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC Name2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol
SMILESCc1cc(Cc2nn[nH]n2)c2c(c1Oc1ccc(O)c(S(=O)(=O)c3ccc(F)cc3)c1)CCC2
InChIInChI=1S/C24H21FN4O4S/c1-14-11-15(12-23-26-28-29-27-23)19-3-2-4-20(19)24(14)33-17-7-10-21(30)22(13-17)34(31,32)18-8-5-16(25)6-9-18/h5-11,13,30H,2-4,12H2,1H3,(H,26,27,28,29)
InChIKeyGLMXKAYAKKNTJG-UHFFFAOYSA-N
XLogP4.06
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol 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-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol (CID 58885611) is 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol is Cc1cc(Cc2nn[nH]n2)c2c(c1Oc1ccc(O)c(S(=O)(=O)c3ccc(F)cc3)c1)CCC2.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol?
The InChIKey is GLMXKAYAKKNTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-14-11-15(12-23-26-28-29-27-23)19-3-2-4-20(19)24(14)33-17-7-10-21(30)22(13-17)34(31,32)18-8-5-16(25)6-9-18/h5-11,13,30H,2-4,12H2,1H3,(H,26,27,28,29).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol?
2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol has a molecular weight of 480.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-4-yl]oxy]phenol is sourced from PubChem (CID 58885611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).