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

C15H14FNO5S — CID 100541360

IUPAC2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C15H14FNO5S/c1-22-14-8-7-12(9-13(14)16)23(20,21)17(10-15(18)19)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVXHMHKFMASTREL-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.11
Rot. Bonds6

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

2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid (PubChem CID 100541360) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
PubChem CID100541360
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Name2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C15H14FNO5S/c1-22-14-8-7-12(9-13(14)16)23(20,21)17(10-15(18)19)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVXHMHKFMASTREL-UHFFFAOYSA-N
XLogP2.11
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100541348
2-(4-bromo-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100542408
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
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-[tert-butyl-(3-fluoro-4-methoxyphenyl)sulfonylamino]acetic acid
CID 79262278
2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid
CID 100513350
2-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62032432
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
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid (CID 100541360) is 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1F.
What is the InChIKey of 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid?
The InChIKey is VXHMHKFMASTREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-22-14-8-7-12(9-13(14)16)23(20,21)17(10-15(18)19)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid?
2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid has a molecular weight of 339.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 100541360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).