[4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol

C13H13NO3S — CID 141394129

IUPAC[4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol
SMILESCc1cc(S(=O)(=O)c2ccccc2)cc(CO)n1
InChIInChI=1S/C13H13NO3S/c1-10-7-13(8-11(9-15)14-10)18(16,17)12-5-3-2-4-6-12/h2-8,15H,9H2,1H3
InChIKeyVZFUCZYGZXIBOL-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.72
Rot. Bonds3

About [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol

[4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol (PubChem CID 141394129) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol
PubChem CID141394129
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name[4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol
SMILESCc1cc(S(=O)(=O)c2ccccc2)cc(CO)n1
InChIInChI=1S/C13H13NO3S/c1-10-7-13(8-11(9-15)14-10)18(16,17)12-5-3-2-4-6-12/h2-8,15H,9H2,1H3
InChIKeyVZFUCZYGZXIBOL-UHFFFAOYSA-N
XLogP1.72
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol (CID 141394129) is [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol is Cc1cc(S(=O)(=O)c2ccccc2)cc(CO)n1.
What is the InChIKey of [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol?
The InChIKey is VZFUCZYGZXIBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-10-7-13(8-11(9-15)14-10)18(16,17)12-5-3-2-4-6-12/h2-8,15H,9H2,1H3.
What are the key properties of [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol?
[4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol has a molecular weight of 263.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 141394129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).