1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone

C11H11FN4O2S — CID 43794002

IUPAC1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CSc2nnnn2C)c1O
InChIInChI=1S/C11H11FN4O2S/c1-6(17)9-4-8(12)3-7(10(9)18)5-19-11-13-14-15-16(11)2/h3-4,18H,5H2,1-2H3
InChIKeyHQRCDLXHKSKVLO-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.55
Rot. Bonds4

About 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone

1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone (PubChem CID 43794002) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone
PubChem CID43794002
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CSc2nnnn2C)c1O
InChIInChI=1S/C11H11FN4O2S/c1-6(17)9-4-8(12)3-7(10(9)18)5-19-11-13-14-15-16(11)2/h3-4,18H,5H2,1-2H3
InChIKeyHQRCDLXHKSKVLO-UHFFFAOYSA-N
XLogP1.55
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone (CID 43794002) is 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone is CC(=O)c1cc(F)cc(CSc2nnnn2C)c1O.
What is the InChIKey of 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone?
The InChIKey is HQRCDLXHKSKVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-6(17)9-4-8(12)3-7(10(9)18)5-19-11-13-14-15-16(11)2/h3-4,18H,5H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone?
1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone has a molecular weight of 282.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone is sourced from PubChem (CID 43794002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).