1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol

C23H17NO3S — CID 138979883

IUPAC1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol
SMILESO=S(=O)(/C(=C/c1cccnc1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H17NO3S/c25-21-13-12-18-8-4-5-11-20(18)23(21)22(15-17-7-6-14-24-16-17)28(26,27)19-9-2-1-3-10-19/h1-16,25H/b22-15+
InChIKeyJNQFKIAIEQJCRM-PXLXIMEGSA-N
MW387.46 g/mol
LogP4.91
Rot. Bonds4

About 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol

1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol (PubChem CID 138979883) has the molecular formula C23H17NO3S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol
PubChem CID138979883
Molecular FormulaC23H17NO3S
Molecular Weight387.46 g/mol
Exact Mass387.09
IUPAC Name1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol
SMILESO=S(=O)(/C(=C/c1cccnc1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H17NO3S/c25-21-13-12-18-8-4-5-11-20(18)23(21)22(15-17-7-6-14-24-16-17)28(26,27)19-9-2-1-3-10-19/h1-16,25H/b22-15+
InChIKeyJNQFKIAIEQJCRM-PXLXIMEGSA-N
XLogP4.91
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol (CID 138979883) is 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol is O=S(=O)(/C(=C/c1cccnc1)c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol?
The InChIKey is JNQFKIAIEQJCRM-PXLXIMEGSA-N. The full InChI is InChI=1S/C23H17NO3S/c25-21-13-12-18-8-4-5-11-20(18)23(21)22(15-17-7-6-14-24-16-17)28(26,27)19-9-2-1-3-10-19/h1-16,25H/b22-15+.
What are the key properties of 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol?
1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol has a molecular weight of 387.46 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(benzenesulfonyl)-2-pyridin-3-ylethenyl]naphthalen-2-ol is sourced from PubChem (CID 138979883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).