3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid

C17H17N5O6S — CID 16762018

IUPAC3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(C(=O)O)c2)cc1-n1cnnn1
InChIInChI=1S/C17H17N5O6S/c1-27-16-6-5-14(10-15(16)22-11-18-20-21-22)29(25,26)19-7-8-28-13-4-2-3-12(9-13)17(23)24/h2-6,9-11,19H,7-8H2,1H3,(H,23,24)
InChIKeyBCCOGYFZOBRRKX-UHFFFAOYSA-N
MW419.42 g/mol
LogP0.73
Rot. Bonds9

About 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid

3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid (PubChem CID 16762018) has the molecular formula C17H17N5O6S and a molecular weight of 419.42 g/mol. Its IUPAC name is 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid
PubChem CID16762018
Molecular FormulaC17H17N5O6S
Molecular Weight419.42 g/mol
Exact Mass419.09
IUPAC Name3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(C(=O)O)c2)cc1-n1cnnn1
InChIInChI=1S/C17H17N5O6S/c1-27-16-6-5-14(10-15(16)22-11-18-20-21-22)29(25,26)19-7-8-28-13-4-2-3-12(9-13)17(23)24/h2-6,9-11,19H,7-8H2,1H3,(H,23,24)
InChIKeyBCCOGYFZOBRRKX-UHFFFAOYSA-N
XLogP0.73
TPSA145.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic 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

3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 3212817
3-fluoro-4-methoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30867180
2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide
CID 16762172
N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 113099287
methyl 3-[2-(3-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 34111692
methyl 3-(2-phenoxyethylsulfamoyl)benzoate
CID 35609145
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023
methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 100552162
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid?
The IUPAC name of 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid (CID 16762018) is 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid?
The canonical SMILES for 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid is COc1ccc(S(=O)(=O)NCCOc2cccc(C(=O)O)c2)cc1-n1cnnn1.
What is the InChIKey of 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid?
The InChIKey is BCCOGYFZOBRRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O6S/c1-27-16-6-5-14(10-15(16)22-11-18-20-21-22)29(25,26)19-7-8-28-13-4-2-3-12(9-13)17(23)24/h2-6,9-11,19H,7-8H2,1H3,(H,23,24).
What are the key properties of 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid?
3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid has a molecular weight of 419.42 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid is sourced from PubChem (CID 16762018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).