methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate

C15H12Cl2FNO4S — CID 50892994

IUPACmethyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12Cl2FNO4S/c1-23-15(20)9-19(13-7-10(16)6-11(17)8-13)24(21,22)14-4-2-12(18)3-5-14/h2-8H,9H2,1H3
InChIKeyQCINKWKRAUNPLV-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.50
Rot. Bonds5

About methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate

methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate (PubChem CID 50892994) has the molecular formula C15H12Cl2FNO4S and a molecular weight of 392.24 g/mol. Its IUPAC name is methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate
PubChem CID50892994
Molecular FormulaC15H12Cl2FNO4S
Molecular Weight392.24 g/mol
Exact Mass390.98
IUPAC Namemethyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12Cl2FNO4S/c1-23-15(20)9-19(13-7-10(16)6-11(17)8-13)24(21,22)14-4-2-12(18)3-5-14/h2-8H,9H2,1H3
InChIKeyQCINKWKRAUNPLV-UHFFFAOYSA-N
XLogP3.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-chloro-N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 100503773
methyl 2-(3-bromo-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50890869
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100504078
methyl 2-[1,3-benzodioxol-5-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100503125
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 28631760
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate
CID 50894823
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 92677059
ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100543464
methyl 2-(2-chloro-N-(4-fluorophenyl)sulfonyl-5-nitroanilino)acetate
CID 50894037
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
CID 50891887
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate (CID 50892994) is methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate is COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate?
The InChIKey is QCINKWKRAUNPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO4S/c1-23-15(20)9-19(13-7-10(16)6-11(17)8-13)24(21,22)14-4-2-12(18)3-5-14/h2-8H,9H2,1H3.
What are the key properties of methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate?
methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate has a molecular weight of 392.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50892994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).