methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate

C16H16FNO5S — CID 100541348

IUPACmethyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H16FNO5S/c1-22-15-9-8-13(10-14(15)17)24(20,21)18(11-16(19)23-2)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyUMHAUDPVQUUAMA-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.20
Rot. Bonds6

About methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate

methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate (PubChem CID 100541348) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
PubChem CID100541348
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Namemethyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H16FNO5S/c1-22-15-9-8-13(10-14(15)17)24(20,21)18(11-16(19)23-2)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyUMHAUDPVQUUAMA-UHFFFAOYSA-N
XLogP2.20
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100541360
2-(4-bromo-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100542408
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
ethyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-3,4-dimethylanilino)acetate
CID 100541877
ethyl 2-[N-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 100543118
ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100543464
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847
methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetate
CID 1311116
methyl 2-(2-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510771
2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
CID 100544131
N-(3-chloro-4-fluorophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30267261

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate (CID 100541348) is methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate is COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate?
The InChIKey is UMHAUDPVQUUAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-22-15-9-8-13(10-14(15)17)24(20,21)18(11-16(19)23-2)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate?
methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate has a molecular weight of 353.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 100541348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).