[4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol

C14H12N4O3S — CID 164807054

IUPAC[4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1)n1cnc(-c2ccncc2)n1
InChIInChI=1S/C14H12N4O3S/c19-9-11-1-3-13(4-2-11)22(20,21)18-10-16-14(17-18)12-5-7-15-8-6-12/h1-8,10,19H,9H2
InChIKeySDHQLCDAYYTWLN-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.07
Rot. Bonds4

About [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol

[4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol (PubChem CID 164807054) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol
PubChem CID164807054
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name[4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1)n1cnc(-c2ccncc2)n1
InChIInChI=1S/C14H12N4O3S/c19-9-11-1-3-13(4-2-11)22(20,21)18-10-16-14(17-18)12-5-7-15-8-6-12/h1-8,10,19H,9H2
InChIKeySDHQLCDAYYTWLN-UHFFFAOYSA-N
XLogP1.07
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol?
The IUPAC name of [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol (CID 164807054) is [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol.
What is the SMILES notation for [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol?
The canonical SMILES for [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol is O=S(=O)(c1ccc(CO)cc1)n1cnc(-c2ccncc2)n1.
What is the InChIKey of [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol?
The InChIKey is SDHQLCDAYYTWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c19-9-11-1-3-13(4-2-11)22(20,21)18-10-16-14(17-18)12-5-7-15-8-6-12/h1-8,10,19H,9H2.
What are the key properties of [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol?
[4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol has a molecular weight of 316.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol is sourced from PubChem (CID 164807054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).