5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid

C15H12FNO3S — CID 43359609

IUPAC5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid
SMILESCSc1ccccc1C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H12FNO3S/c1-21-13-5-3-2-4-10(13)14(18)17-12-7-6-9(16)8-11(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyONDAKZJPBCXTSK-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.50
Rot. Bonds4

About 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid

5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid (PubChem CID 43359609) has the molecular formula C15H12FNO3S and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid
PubChem CID43359609
Molecular FormulaC15H12FNO3S
Molecular Weight305.33 g/mol
Exact Mass305.05
IUPAC Name5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid
SMILESCSc1ccccc1C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H12FNO3S/c1-21-13-5-3-2-4-10(13)14(18)17-12-7-6-9(16)8-11(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyONDAKZJPBCXTSK-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid (CID 43359609) is 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid is CSc1ccccc1C(=O)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid?
The InChIKey is ONDAKZJPBCXTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3S/c1-21-13-5-3-2-4-10(13)14(18)17-12-7-6-9(16)8-11(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid?
5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid has a molecular weight of 305.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylsulfanylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 43359609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).