[4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol

C14H15NO3S — CID 110004767

IUPAC[4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol
SMILESCc1ccc(S(=O)(=O)Cc2ccc(CO)cc2)nc1
InChIInChI=1S/C14H15NO3S/c1-11-2-7-14(15-8-11)19(17,18)10-13-5-3-12(9-16)4-6-13/h2-8,16H,9-10H2,1H3
InChIKeyHRISSWIJKOUHET-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.86
Rot. Bonds4

About [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol

[4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol (PubChem CID 110004767) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol
PubChem CID110004767
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name[4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol
SMILESCc1ccc(S(=O)(=O)Cc2ccc(CO)cc2)nc1
InChIInChI=1S/C14H15NO3S/c1-11-2-7-14(15-8-11)19(17,18)10-13-5-3-12(9-16)4-6-13/h2-8,16H,9-10H2,1H3
InChIKeyHRISSWIJKOUHET-UHFFFAOYSA-N
XLogP1.86
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol?
The IUPAC name of [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol (CID 110004767) is [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol?
The canonical SMILES for [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol is Cc1ccc(S(=O)(=O)Cc2ccc(CO)cc2)nc1.
What is the InChIKey of [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol?
The InChIKey is HRISSWIJKOUHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-11-2-7-14(15-8-11)19(17,18)10-13-5-3-12(9-16)4-6-13/h2-8,16H,9-10H2,1H3.
What are the key properties of [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol?
[4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol has a molecular weight of 277.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-2-pyridinyl)sulfonylmethyl]phenyl]methanol is sourced from PubChem (CID 110004767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).