2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid

C16H16FNO5S — CID 2981035

IUPAC2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO5S/c1-11-3-8-14(23-2)15(9-11)24(21,22)18(10-16(19)20)13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeySKGPTKXHTHAQIA-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.42
Rot. Bonds6

About 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid

2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid (PubChem CID 2981035) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid
PubChem CID2981035
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO5S/c1-11-3-8-14(23-2)15(9-11)24(21,22)18(10-16(19)20)13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeySKGPTKXHTHAQIA-UHFFFAOYSA-N
XLogP2.42
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
CID 1347643
N-[(4-methoxyphenyl)sulfonyl]-N-phenylglycine
CID 362726
N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycine
CID 802604
1-((2-Methoxy-5-methylphenyl)sulfonyl)-4-phenylpiperazine
CID 775526
N-[(4-ethoxyphenyl)sulfonyl]-N-phenylglycine
CID 1120944
1-(2-Methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1242019
N~2~-[(2-methoxy-5-methylphenyl)sulfonyl]-N~2~-methyl-N~1~-phenylglycinamide
CID 1248521
N-(4-ethoxyphenyl)-N-[(4-fluorophenyl)sulfonyl]glycine
CID 1266057
N~2~-[(2-methoxy-5-methylphenyl)sulfonyl]-N~1~-(2-methoxyphenyl)-N~2~-methylglycinamide
CID 1294283
(E)-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
CID 1336904
N~1~-[4-(aminosulfonyl)phenyl]-N~2~-ethyl-N~2~-[(2-methoxy-5-methylphenyl)sulfonyl]glycinamide
CID 2238215
N~2~-(4-fluorophenyl)-N~2~-[(2-methoxy-5-methylphenyl)sulfonyl]-N~1~-methylglycinamide
CID 2239694

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid (CID 2981035) is 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid?
The InChIKey is SKGPTKXHTHAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-11-3-8-14(23-2)15(9-11)24(21,22)18(10-16(19)20)13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid?
2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid has a molecular weight of 353.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 2981035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).