6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one

C24H17N3O4S — CID 171347227

IUPAC6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(O)c2)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]1
InChIInChI=1S/C24H17N3O4S/c28-17-8-6-7-16(13-17)21-14-22(26-24(29)25-21)20-15-27(23-12-5-4-11-19(20)23)32(30,31)18-9-2-1-3-10-18/h1-15,28H,(H,25,26,29)
InChIKeyZBIJQMSEVLRJQM-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.00
Rot. Bonds4

About 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one

6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one (PubChem CID 171347227) has the molecular formula C24H17N3O4S and a molecular weight of 443.48 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one
PubChem CID171347227
Molecular FormulaC24H17N3O4S
Molecular Weight443.48 g/mol
Exact Mass443.09
IUPAC Name6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(O)c2)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]1
InChIInChI=1S/C24H17N3O4S/c28-17-8-6-7-16(13-17)21-14-22(26-24(29)25-21)20-15-27(23-12-5-4-11-19(20)23)32(30,31)18-9-2-1-3-10-18/h1-15,28H,(H,25,26,29)
InChIKeyZBIJQMSEVLRJQM-UHFFFAOYSA-N
XLogP4.00
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one (CID 171347227) is 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one is O=c1nc(-c2cccc(O)c2)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]1.
What is the InChIKey of 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is ZBIJQMSEVLRJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4S/c28-17-8-6-7-16(13-17)21-14-22(26-24(29)25-21)20-15-27(23-12-5-4-11-19(20)23)32(30,31)18-9-2-1-3-10-18/h1-15,28H,(H,25,26,29).
What are the key properties of 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one?
6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one has a molecular weight of 443.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)indol-3-yl]-4-(3-hydroxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 171347227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).