3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide

C17H11F2NO4S2 — CID 122652900

IUPAC3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1
InChIInChI=1S/C17H11F2NO4S2/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(25-14)9-2-1-3-10(8-9)26(20,23)24/h1-8,21H,(H2,20,23,24)
InChIKeyITOJSNQMABUYST-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.28
Rot. Bonds4

About 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide

3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide (PubChem CID 122652900) has the molecular formula C17H11F2NO4S2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide
PubChem CID122652900
Molecular FormulaC17H11F2NO4S2
Molecular Weight395.41 g/mol
Exact Mass395.01
IUPAC Name3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1
InChIInChI=1S/C17H11F2NO4S2/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(25-14)9-2-1-3-10(8-9)26(20,23)24/h1-8,21H,(H2,20,23,24)
InChIKeyITOJSNQMABUYST-UHFFFAOYSA-N
XLogP3.28
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-Hydroxy-3,5-dimethylphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652933
(2,6-Difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
CID 122652946
[5-(4-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652962
(5-Phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652985
[5-(2-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122653018
4-(4-Hydroxybenzoyl)-2-thiophenesulfonamide
CID 14639075
(3-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840059
(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
(4-Fluoro-3-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840129
(5-(4-Fluoro-3-hydroxyphenyl)thiophen-2-yl)(3-hydroxyphenyl)methanone
CID 49840132

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide (CID 122652900) is 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1.
What is the InChIKey of 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide?
The InChIKey is ITOJSNQMABUYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO4S2/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(25-14)9-2-1-3-10(8-9)26(20,23)24/h1-8,21H,(H2,20,23,24).
What are the key properties of 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide?
3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide has a molecular weight of 395.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]benzenesulfonamide is sourced from PubChem (CID 122652900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).