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

C16H16N4O3S — CID 155534969

IUPAC[4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(Cc2nnnn2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C16H16N4O3S/c1-24(22,23)15-8-4-12(5-9-15)10-16-17-18-19-20(16)14-6-2-13(11-21)3-7-14/h2-9,21H,10-11H2,1H3
InChIKeyWTYAEYRSAHDFQD-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.15
Rot. Bonds5

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

[4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol (PubChem CID 155534969) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is [4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol
PubChem CID155534969
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name[4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(Cc2nnnn2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C16H16N4O3S/c1-24(22,23)15-8-4-12(5-9-15)10-16-17-18-19-20(16)14-6-2-13(11-21)3-7-14/h2-9,21H,10-11H2,1H3
InChIKeyWTYAEYRSAHDFQD-UHFFFAOYSA-N
XLogP1.15
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070462
N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine
CID 47068669
N,2,5-trimethyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
CID 47068771
3,3-dimethyl-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120775209
4-methyl-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]azepane
CID 56800075
1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
CID 103084958
5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
CID 47068674
3-methyl-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-3-propylpiperidine
CID 126784214
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
CID 63836085
2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide
CID 56504121
N-[1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084961
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55989352

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol?
The IUPAC name of [4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol (CID 155534969) is [4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol?
The canonical SMILES for [4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol is CS(=O)(=O)c1ccc(Cc2nnnn2-c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol?
The InChIKey is WTYAEYRSAHDFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-24(22,23)15-8-4-12(5-9-15)10-16-17-18-19-20(16)14-6-2-13(11-21)3-7-14/h2-9,21H,10-11H2,1H3.
What are the key properties of [4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol?
[4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol has a molecular weight of 344.40 g/mol, XLogP of 1.15, 5 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]phenyl]methanol is sourced from PubChem (CID 155534969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).