4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol

C15H14N4O3S — CID 155528460

IUPAC4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol
SMILESCS(=O)(=O)c1ccc(Cc2nnnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N4O3S/c1-23(21,22)14-8-2-11(3-9-14)10-15-16-17-18-19(15)12-4-6-13(20)7-5-12/h2-9,20H,10H2,1H3
InChIKeyCFDYZBSDVQBNEM-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.36
Rot. Bonds4

About 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol

4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol (PubChem CID 155528460) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol
PubChem CID155528460
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol
SMILESCS(=O)(=O)c1ccc(Cc2nnnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N4O3S/c1-23(21,22)14-8-2-11(3-9-14)10-15-16-17-18-19(15)12-4-6-13(20)7-5-12/h2-9,20H,10H2,1H3
InChIKeyCFDYZBSDVQBNEM-UHFFFAOYSA-N
XLogP1.36
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol 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 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol (CID 155528460) is 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol is CS(=O)(=O)c1ccc(Cc2nnnn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol?
The InChIKey is CFDYZBSDVQBNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-23(21,22)14-8-2-11(3-9-14)10-15-16-17-18-19(15)12-4-6-13(20)7-5-12/h2-9,20H,10H2,1H3.
What are the key properties of 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol?
4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol has a molecular weight of 330.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 155528460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).