(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone

C17H12O5S2 — CID 90645575

IUPAC(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(S(=O)(=O)c2cccc(O)c2)s1
InChIInChI=1S/C17H12O5S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(23-15)24(21,22)14-3-1-2-13(19)10-14/h1-10,18-19H
InChIKeyICCXSVUUTBXBOY-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.22
Rot. Bonds4

About (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone

(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone (PubChem CID 90645575) has the molecular formula C17H12O5S2 and a molecular weight of 360.41 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone
PubChem CID90645575
Molecular FormulaC17H12O5S2
Molecular Weight360.41 g/mol
Exact Mass360.01
IUPAC Name(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(S(=O)(=O)c2cccc(O)c2)s1
InChIInChI=1S/C17H12O5S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(23-15)24(21,22)14-3-1-2-13(19)10-14/h1-10,18-19H
InChIKeyICCXSVUUTBXBOY-UHFFFAOYSA-N
XLogP3.22
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652962
[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl](4-hydroxyphenyl)methanone
CID 9863785
4-(4-Hydroxybenzoyl)-2-thiophenesulfonamide
CID 14639075
(3-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840059
(4-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840060
(3-Hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840062
(3-Hydroxyphenyl)(5-(2-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840063
(4-Fluoro-3-hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840065
[5-(4-Hydroxy-3-methylphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840134
[5-(3-Fluoro-4-hydroxyphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840135
(5-(3,4-Dihydroxyphenyl)thiophen-2-yl)(3-hydroxyphenyl)methanone
CID 49840197
3-[5-(2,6-Difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide
CID 122652900

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone (CID 90645575) is (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone is O=C(c1ccc(O)cc1)c1ccc(S(=O)(=O)c2cccc(O)c2)s1.
What is the InChIKey of (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone?
The InChIKey is ICCXSVUUTBXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(23-15)24(21,22)14-3-1-2-13(19)10-14/h1-10,18-19H.
What are the key properties of (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone?
(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone has a molecular weight of 360.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone is sourced from PubChem (CID 90645575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).