[3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate

C16H10FN5O3S — CID 37497483

IUPAC[3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate
SMILESO=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(F)c2ncccc12
InChIInChI=1S/C16H10FN5O3S/c17-14-6-7-15(13-5-2-8-18-16(13)14)26(23,24)25-12-4-1-3-11(9-12)22-10-19-20-21-22/h1-10H
InChIKeyRVJFBLSCXNCSKB-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.12
Rot. Bonds4

About [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate

[3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate (PubChem CID 37497483) has the molecular formula C16H10FN5O3S and a molecular weight of 371.35 g/mol. Its IUPAC name is [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate.

Molecular Properties

Compound Name[3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate
PubChem CID37497483
Molecular FormulaC16H10FN5O3S
Molecular Weight371.35 g/mol
Exact Mass371.05
IUPAC Name[3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate
SMILESO=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(F)c2ncccc12
InChIInChI=1S/C16H10FN5O3S/c17-14-6-7-15(13-5-2-8-18-16(13)14)26(23,24)25-12-4-1-3-11(9-12)22-10-19-20-21-22/h1-10H
InChIKeyRVJFBLSCXNCSKB-UHFFFAOYSA-N
XLogP2.12
TPSA99.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate 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-(tetrazol-1-yl)phenyl] 4-bromo-2-chlorobenzenesulfonate
CID 26942780
[3-(tetrazol-1-yl)phenyl] 2,5-dichlorothiophene-3-sulfonate
CID 39793351
[3-(tetrazol-1-yl)phenyl] 4-tert-butylbenzenesulfonate
CID 26942777
[3-(tetrazol-1-yl)phenyl] 4-ethoxybenzenesulfonate
CID 18083077
[3-(tetrazol-1-yl)phenyl] 3-(trifluoromethoxy)benzenesulfonate
CID 31774395
(3-methoxyphenyl) 8-methylquinoline-5-sulfonate
CID 46556074
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide
CID 51090537
[3-(tetrazol-1-yl)phenyl] 4-(methylcarbamoyl)benzenesulfonate
CID 24525725
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167

Frequently Asked Questions

What is the IUPAC name of [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate?
The IUPAC name of [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate (CID 37497483) is [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate.
What is the SMILES notation for [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate?
The canonical SMILES for [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate is O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(F)c2ncccc12.
What is the InChIKey of [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate?
The InChIKey is RVJFBLSCXNCSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O3S/c17-14-6-7-15(13-5-2-8-18-16(13)14)26(23,24)25-12-4-1-3-11(9-12)22-10-19-20-21-22/h1-10H.
What are the key properties of [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate?
[3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate has a molecular weight of 371.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tetrazol-1-yl)phenyl] 8-fluoroquinoline-5-sulfonate is sourced from PubChem (CID 37497483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).