2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid

C15H13F2NO5S — CID 100543852

IUPAC2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2F)cc1F
InChIInChI=1S/C15H13F2NO5S/c1-23-14-7-6-10(8-12(14)17)24(21,22)18(9-15(19)20)13-5-3-2-4-11(13)16/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYOJPRKPIVZOBFW-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid

2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid (PubChem CID 100543852) has the molecular formula C15H13F2NO5S and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
PubChem CID100543852
Molecular FormulaC15H13F2NO5S
Molecular Weight357.33 g/mol
Exact Mass357.05
IUPAC Name2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2F)cc1F
InChIInChI=1S/C15H13F2NO5S/c1-23-14-7-6-10(8-12(14)17)24(21,22)18(9-15(19)20)13-5-3-2-4-11(13)16/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYOJPRKPIVZOBFW-UHFFFAOYSA-N
XLogP2.25
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100541360
2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
CID 100544131
2-(3-chloro-N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetic acid
CID 100544359
2-(4-bromo-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100542408
N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43899402
methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100541348
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 30256831
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
2-[tert-butyl-(3-fluoro-4-methoxyphenyl)sulfonylamino]acetic acid
CID 79262278
2-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62032432
2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100532770

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid (CID 100543852) is 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2F)cc1F.
What is the InChIKey of 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid?
The InChIKey is YOJPRKPIVZOBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO5S/c1-23-14-7-6-10(8-12(14)17)24(21,22)18(9-15(19)20)13-5-3-2-4-11(13)16/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid?
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid has a molecular weight of 357.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 100543852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).