2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid

C15H12Cl2FNO5S — CID 100513350

IUPAC2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl2FNO5S/c1-24-14-5-3-10(7-12(14)17)25(22,23)19(8-15(20)21)9-2-4-13(18)11(16)6-9/h2-7H,8H2,1H3,(H,20,21)
InChIKeyACUMWBAHLSZTFI-UHFFFAOYSA-N
MW408.23 g/mol
LogP3.42
Rot. Bonds6

About 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid

2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid (PubChem CID 100513350) has the molecular formula C15H12Cl2FNO5S and a molecular weight of 408.23 g/mol. Its IUPAC name is 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid
PubChem CID100513350
Molecular FormulaC15H12Cl2FNO5S
Molecular Weight408.23 g/mol
Exact Mass406.98
IUPAC Name2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl2FNO5S/c1-24-14-5-3-10(7-12(14)17)25(22,23)19(8-15(20)21)9-2-4-13(18)11(16)6-9/h2-7H,8H2,1H3,(H,20,21)
InChIKeyACUMWBAHLSZTFI-UHFFFAOYSA-N
XLogP3.42
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.23
LogP ≤ 53.42
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-(4-bromo-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100542408
2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid
CID 100515066
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43899535
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 43900921
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(2-methoxyphenyl)acetamide
CID 53281272
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998269
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28577306
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92684925
N-(2-tert-butylsulfanylethyl)-2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 30266645

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid (CID 100513350) is 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid?
The InChIKey is ACUMWBAHLSZTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO5S/c1-24-14-5-3-10(7-12(14)17)25(22,23)19(8-15(20)21)9-2-4-13(18)11(16)6-9/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid?
2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid has a molecular weight of 408.23 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid is sourced from PubChem (CID 100513350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).