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

C23H20FN5O4S — CID 58885516

IUPAC2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol
SMILESCc1cc(Nc2nn[nH]n2)c2c(c1Oc1ccc(O)c(S(=O)(=O)c3ccc(F)cc3)c1)CCC2
InChIInChI=1S/C23H20FN5O4S/c1-13-11-19(25-23-26-28-29-27-23)17-3-2-4-18(17)22(13)33-15-7-10-20(30)21(12-15)34(31,32)16-8-5-14(24)6-9-16/h5-12,30H,2-4H2,1H3,(H2,25,26,27,28,29)
InChIKeyAOLKHTIZBGJQEA-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.21
Rot. Bonds6

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

2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol (PubChem CID 58885516) has the molecular formula C23H20FN5O4S and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol
PubChem CID58885516
Molecular FormulaC23H20FN5O4S
Molecular Weight481.51 g/mol
Exact Mass481.12
IUPAC Name2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol
SMILESCc1cc(Nc2nn[nH]n2)c2c(c1Oc1ccc(O)c(S(=O)(=O)c3ccc(F)cc3)c1)CCC2
InChIInChI=1S/C23H20FN5O4S/c1-13-11-19(25-23-26-28-29-27-23)17-3-2-4-18(17)22(13)33-15-7-10-20(30)21(12-15)34(31,32)16-8-5-14(24)6-9-16/h5-12,30H,2-4H2,1H3,(H2,25,26,27,28,29)
InChIKeyAOLKHTIZBGJQEA-UHFFFAOYSA-N
XLogP4.21
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-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-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol (CID 58885516) is 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-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-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol is Cc1cc(Nc2nn[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-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol?
The InChIKey is AOLKHTIZBGJQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4S/c1-13-11-19(25-23-26-28-29-27-23)17-3-2-4-18(17)22(13)33-15-7-10-20(30)21(12-15)34(31,32)16-8-5-14(24)6-9-16/h5-12,30H,2-4H2,1H3,(H2,25,26,27,28,29).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol?
2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol has a molecular weight of 481.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-4-[[5-methyl-7-(2H-tetrazol-5-ylamino)-2,3-dihydro-1H-inden-4-yl]oxy]phenol is sourced from PubChem (CID 58885516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).