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

C22H23N5O5S — CID 167444877

IUPAC3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
SMILESO=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-n3cnnn3)ccc2OC2CCCC2)c1
InChIInChI=1S/C22H23N5O5S/c28-22(29)15-7-9-18(14-5-6-14)21(11-15)33(30,31)24-19-12-16(27-13-23-25-26-27)8-10-20(19)32-17-3-1-2-4-17/h7-14,17,24H,1-6H2,(H,28,29)
InChIKeyGKRUIUCDWIRMLZ-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.36
Rot. Bonds8

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

3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid (PubChem CID 167444877) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid.

Molecular Properties

Compound Name3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
PubChem CID167444877
Molecular FormulaC22H23N5O5S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC Name3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid
SMILESO=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-n3cnnn3)ccc2OC2CCCC2)c1
InChIInChI=1S/C22H23N5O5S/c28-22(29)15-7-9-18(14-5-6-14)21(11-15)33(30,31)24-19-12-16(27-13-23-25-26-27)8-10-20(19)32-17-3-1-2-4-17/h7-14,17,24H,1-6H2,(H,28,29)
InChIKeyGKRUIUCDWIRMLZ-UHFFFAOYSA-N
XLogP3.36
TPSA136.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The IUPAC name of 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid (CID 167444877) is 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid.
What is the SMILES notation for 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The canonical SMILES for 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid is O=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-n3cnnn3)ccc2OC2CCCC2)c1.
What is the InChIKey of 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
The InChIKey is GKRUIUCDWIRMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S/c28-22(29)15-7-9-18(14-5-6-14)21(11-15)33(30,31)24-19-12-16(27-13-23-25-26-27)8-10-20(19)32-17-3-1-2-4-17/h7-14,17,24H,1-6H2,(H,28,29).
What are the key properties of 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid?
3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid has a molecular weight of 469.52 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoic acid is sourced from PubChem (CID 167444877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).