(3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone

C10H7F2N3O4S — CID 126481605

IUPAC(3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCS(=O)(=O)c1nc(C(=O)c2cc(F)cc(F)c2O)n[nH]1
InChIInChI=1S/C10H7F2N3O4S/c1-20(18,19)10-13-9(14-15-10)8(17)5-2-4(11)3-6(12)7(5)16/h2-3,16H,1H3,(H,13,14,15)
InChIKeyANIWNWQNJVCEKE-UHFFFAOYSA-N
MW303.25 g/mol
LogP0.42
Rot. Bonds3

About (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone

(3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 126481605) has the molecular formula C10H7F2N3O4S and a molecular weight of 303.25 g/mol. Its IUPAC name is (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID126481605
Molecular FormulaC10H7F2N3O4S
Molecular Weight303.25 g/mol
Exact Mass303.01
IUPAC Name(3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCS(=O)(=O)c1nc(C(=O)c2cc(F)cc(F)c2O)n[nH]1
InChIInChI=1S/C10H7F2N3O4S/c1-20(18,19)10-13-9(14-15-10)8(17)5-2-4(11)3-6(12)7(5)16/h2-3,16H,1H3,(H,13,14,15)
InChIKeyANIWNWQNJVCEKE-UHFFFAOYSA-N
XLogP0.42
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-difluoro-2-methoxyphenyl)-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methanone
CID 126481596
(3,5-difluoro-2-hydroxyphenyl)-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methanone
CID 145233534
1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 60778806
1-[5-fluoro-2-hydroxy-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone
CID 61345294
(3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone
CID 67284594

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone (CID 126481605) is (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone is CS(=O)(=O)c1nc(C(=O)c2cc(F)cc(F)c2O)n[nH]1.
What is the InChIKey of (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is ANIWNWQNJVCEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O4S/c1-20(18,19)10-13-9(14-15-10)8(17)5-2-4(11)3-6(12)7(5)16/h2-3,16H,1H3,(H,13,14,15).
What are the key properties of (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone?
(3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 303.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 126481605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).