[4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol

C14H13N5O3S — CID 122694181

IUPAC[4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol
SMILESCS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O3S/c1-23(21,22)12-7-15-6-11(13(12)14-16-18-19-17-14)10-4-2-9(8-20)3-5-10/h2-7,20H,8H2,1H3,(H,16,17,18,19)
InChIKeyCYZRLUFPRGFDOA-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.82
Rot. Bonds4

About [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol

[4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol (PubChem CID 122694181) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol
PubChem CID122694181
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name[4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol
SMILESCS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O3S/c1-23(21,22)12-7-15-6-11(13(12)14-16-18-19-17-14)10-4-2-9(8-20)3-5-10/h2-7,20H,8H2,1H3,(H,16,17,18,19)
InChIKeyCYZRLUFPRGFDOA-UHFFFAOYSA-N
XLogP0.82
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-4-sulfonamide
CID 118256917
5-(4-(Hydroxymethyl)phenyl)-4-(1H-tetrazol-5-yl)pyridine-3-sulfonamide
CID 118257448
(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257356
3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
US10227331, Example 143
CID 135150291
[2-amino-5-[2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol
CID 122694396
3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256785
[4-[4-methylsulfonyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol
CID 122694148
[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanol
CID 122694154
[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol
CID 122694233
[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol
CID 122694256
[4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]phenyl]methanol
CID 140751852

Frequently Asked Questions

What is the IUPAC name of [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol (CID 122694181) is [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol is CS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nn[nH]n1.
What is the InChIKey of [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol?
The InChIKey is CYZRLUFPRGFDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-23(21,22)12-7-15-6-11(13(12)14-16-18-19-17-14)10-4-2-9(8-20)3-5-10/h2-7,20H,8H2,1H3,(H,16,17,18,19).
What are the key properties of [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol?
[4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol has a molecular weight of 331.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methylsulfonyl-4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 122694181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).