4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid

C22H19N5O4S — CID 155271322

IUPAC4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(-n2cnnn2)ccc1-c1ccccc1
InChIInChI=1S/C22H19N5O4S/c1-2-15-8-9-17(22(28)29)12-21(15)32(30,31)24-20-13-18(27-14-23-25-26-27)10-11-19(20)16-6-4-3-5-7-16/h3-14,24H,2H2,1H3,(H,28,29)
InChIKeyMLPOCIAOEZAMGE-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.39
Rot. Bonds7

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

4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid (PubChem CID 155271322) has the molecular formula C22H19N5O4S and a molecular weight of 449.49 g/mol. Its IUPAC name is 4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
PubChem CID155271322
Molecular FormulaC22H19N5O4S
Molecular Weight449.49 g/mol
Exact Mass449.12
IUPAC Name4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(-n2cnnn2)ccc1-c1ccccc1
InChIInChI=1S/C22H19N5O4S/c1-2-15-8-9-17(22(28)29)12-21(15)32(30,31)24-20-13-18(27-14-23-25-26-27)10-11-19(20)16-6-4-3-5-7-16/h3-14,24H,2H2,1H3,(H,28,29)
InChIKeyMLPOCIAOEZAMGE-UHFFFAOYSA-N
XLogP3.39
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid (CID 155271322) is 4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid is CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(-n2cnnn2)ccc1-c1ccccc1.
What is the InChIKey of 4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is MLPOCIAOEZAMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4S/c1-2-15-8-9-17(22(28)29)12-21(15)32(30,31)24-20-13-18(27-14-23-25-26-27)10-11-19(20)16-6-4-3-5-7-16/h3-14,24H,2H2,1H3,(H,28,29).
What are the key properties of 4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid?
4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 449.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[2-phenyl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 155271322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).