1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone

C14H10FNO4S — CID 43801526

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1[N+](=O)[O-])c1cc(F)ccc1O
InChIInChI=1S/C14H10FNO4S/c15-9-5-6-12(17)10(7-9)13(18)8-21-14-4-2-1-3-11(14)16(19)20/h1-7,17H,8H2
InChIKeySXHQGXXDKPJNIR-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.41
Rot. Bonds5

About 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone (PubChem CID 43801526) has the molecular formula C14H10FNO4S and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone
PubChem CID43801526
Molecular FormulaC14H10FNO4S
Molecular Weight307.30 g/mol
Exact Mass307.03
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1[N+](=O)[O-])c1cc(F)ccc1O
InChIInChI=1S/C14H10FNO4S/c15-9-5-6-12(17)10(7-9)13(18)8-21-14-4-2-1-3-11(14)16(19)20/h1-7,17H,8H2
InChIKeySXHQGXXDKPJNIR-UHFFFAOYSA-N
XLogP3.41
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-2-(2-nitrophenyl)sulfanylethanone
CID 43801566
1-(2-methoxyphenyl)-2-(2-nitrophenyl)sulfanylethanone
CID 43801560
(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone
CID 71386459
1-(2-nitrophenyl)sulfanylpropan-2-one
CID 822986
1-(4-fluorophenyl)-3-(2-nitrophenyl)sulfanylpropan-1-one
CID 43793891
2-(5-fluoro-2-nitrophenyl)sulfanylphenol
CID 62375935
1-(3,4-dichlorophenyl)-2-(2-nitrophenyl)sulfanylethanone
CID 43801532
1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
CID 114000859
2-[(5-fluoro-2-nitrophenyl)methylsulfanyl]phenol
CID 62028196
2-(2-nitrophenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone
CID 43801544
5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide
CID 77004177
N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide
CID 134096706

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone (CID 43801526) is 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone is O=C(CSc1ccccc1[N+](=O)[O-])c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone?
The InChIKey is SXHQGXXDKPJNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4S/c15-9-5-6-12(17)10(7-9)13(18)8-21-14-4-2-1-3-11(14)16(19)20/h1-7,17H,8H2.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone has a molecular weight of 307.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone is sourced from PubChem (CID 43801526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).