5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole

C19H15FN4O3S2 — CID 152937405

IUPAC5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)s1
InChIInChI=1S/C19H15FN4O3S2/c1-27-16-6-5-14(20)10-15(16)17-7-8-18(28-17)29(25,26)11-12-3-2-4-13(9-12)19-21-23-24-22-19/h2-10H,11H2,1H3,(H,21,22,23,24)
InChIKeyUMDFIBGAOWCNQJ-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.72
Rot. Bonds6

About 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole

5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole (PubChem CID 152937405) has the molecular formula C19H15FN4O3S2 and a molecular weight of 430.49 g/mol. Its IUPAC name is 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole
PubChem CID152937405
Molecular FormulaC19H15FN4O3S2
Molecular Weight430.49 g/mol
Exact Mass430.06
IUPAC Name5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)s1
InChIInChI=1S/C19H15FN4O3S2/c1-27-16-6-5-14(20)10-15(16)17-7-8-18(28-17)29(25,26)11-12-3-2-4-13(9-12)19-21-23-24-22-19/h2-10H,11H2,1H3,(H,21,22,23,24)
InChIKeyUMDFIBGAOWCNQJ-UHFFFAOYSA-N
XLogP3.72
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole (CID 152937405) is 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole is COc1ccc(F)cc1-c1ccc(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)s1.
What is the InChIKey of 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole?
The InChIKey is UMDFIBGAOWCNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S2/c1-27-16-6-5-14(20)10-15(16)17-7-8-18(28-17)29(25,26)11-12-3-2-4-13(9-12)19-21-23-24-22-19/h2-10H,11H2,1H3,(H,21,22,23,24).
What are the key properties of 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole?
5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole has a molecular weight of 430.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 152937405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).