[5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone

C17H11F2NO2S — CID 122194409

IUPAC[5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESNc1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1
InChIInChI=1S/C17H11F2NO2S/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(23-14)9-2-1-3-10(20)8-9/h1-8,21H,20H2
InChIKeyAALHZGMCQSLBNY-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.21
Rot. Bonds3

About [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone

[5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (PubChem CID 122194409) has the molecular formula C17H11F2NO2S and a molecular weight of 331.34 g/mol. Its IUPAC name is [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
PubChem CID122194409
Molecular FormulaC17H11F2NO2S
Molecular Weight331.34 g/mol
Exact Mass331.05
IUPAC Name[5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESNc1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1
InChIInChI=1S/C17H11F2NO2S/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(23-14)9-2-1-3-10(20)8-9/h1-8,21H,20H2
InChIKeyAALHZGMCQSLBNY-UHFFFAOYSA-N
XLogP4.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

17ss-HSD2 inhibitor 24
CID 139030522
4-methyl-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155526302
3-chloro-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155530633
2-cyano-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155531966
N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide
CID 155538884
3-methyl-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155545568
4-chloro-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155553373
4-fluoro-N-[2-methyl-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155558001
N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 56928979
N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 122194303
N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122194411
N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 122194412

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (CID 122194409) is [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is Nc1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1.
What is the InChIKey of [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The InChIKey is AALHZGMCQSLBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO2S/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(23-14)9-2-1-3-10(20)8-9/h1-8,21H,20H2.
What are the key properties of [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
[5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone has a molecular weight of 331.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122194409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).