3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid

C22H22FN5O5S — CID 167444960

IUPAC3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
SMILESO=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-n3cnnn3)c(F)cc2OC2CCCC2)c1
InChIInChI=1S/C22H22FN5O5S/c23-17-10-20(33-15-3-1-2-4-15)18(11-19(17)28-12-24-26-27-28)25-34(31,32)21-9-14(22(29)30)7-8-16(21)13-5-6-13/h7-13,15,25H,1-6H2,(H,29,30)
InChIKeyAPOLDIGRXQHJTF-UHFFFAOYSA-N
MW487.51 g/mol
LogP3.50
Rot. Bonds8

About 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid

3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid (PubChem CID 167444960) has the molecular formula C22H22FN5O5S and a molecular weight of 487.51 g/mol. Its IUPAC name is 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid.

Molecular Properties

Compound Name3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
PubChem CID167444960
Molecular FormulaC22H22FN5O5S
Molecular Weight487.51 g/mol
Exact Mass487.13
IUPAC Name3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
SMILESO=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-n3cnnn3)c(F)cc2OC2CCCC2)c1
InChIInChI=1S/C22H22FN5O5S/c23-17-10-20(33-15-3-1-2-4-15)18(11-19(17)28-12-24-26-27-28)25-34(31,32)21-9-14(22(29)30)7-8-16(21)13-5-6-13/h7-13,15,25H,1-6H2,(H,29,30)
InChIKeyAPOLDIGRXQHJTF-UHFFFAOYSA-N
XLogP3.50
TPSA136.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopropyl-3-[[2-[(1R)-2,2-dimethylcyclopentyl]oxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
CID 167444939
methyl 3-[cyclopropyl-[2-[(1R)-2,2-dimethylcyclopentyl]oxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 167444974
methyl 4-cyclopropyl-3-[[2-[(1R)-2,2-dimethylcyclopentyl]oxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 171482246
4-Cyclopropyl-3-[[2-(2,2-dimethylcyclopentyl)oxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
CID 175567236
Methyl 4-cyclopropyl-3-[[2-(2,2-dimethylcyclopentyl)oxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 175567284
3-[[4-Chloro-2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
CID 167444876
3-[[2-Cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
CID 167444877
Methyl 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoate
CID 169580266
Methyl 4-cyclopropyl-3-[[2-propan-2-yloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 171482247
2-[[2-Cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
CID 172498770

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The IUPAC name of 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid (CID 167444960) is 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid.
What is the SMILES notation for 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The canonical SMILES for 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid is O=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-n3cnnn3)c(F)cc2OC2CCCC2)c1.
What is the InChIKey of 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The InChIKey is APOLDIGRXQHJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O5S/c23-17-10-20(33-15-3-1-2-4-15)18(11-19(17)28-12-24-26-27-28)25-34(31,32)21-9-14(22(29)30)7-8-16(21)13-5-6-13/h7-13,15,25H,1-6H2,(H,29,30).
What are the key properties of 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid has a molecular weight of 487.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopentyloxy-4-fluoro-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid is sourced from PubChem (CID 167444960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).