ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate

C17H16Cl2FNO5S — CID 100543464

IUPACethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H16Cl2FNO5S/c1-3-26-17(22)10-21(13-7-11(18)6-12(19)8-13)27(23,24)14-4-5-16(25-2)15(20)9-14/h4-9H,3,10H2,1-2H3
InChIKeyQUCCIDKGQNBSDK-UHFFFAOYSA-N
MW436.29 g/mol
LogP3.90
Rot. Bonds7

About ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate

ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate (PubChem CID 100543464) has the molecular formula C17H16Cl2FNO5S and a molecular weight of 436.29 g/mol. Its IUPAC name is ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
PubChem CID100543464
Molecular FormulaC17H16Cl2FNO5S
Molecular Weight436.29 g/mol
Exact Mass435.01
IUPAC Nameethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H16Cl2FNO5S/c1-3-26-17(22)10-21(13-7-11(18)6-12(19)8-13)27(23,24)14-4-5-16(25-2)15(20)9-14/h4-9H,3,10H2,1-2H3
InChIKeyQUCCIDKGQNBSDK-UHFFFAOYSA-N
XLogP3.90
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100541348
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
ethyl 2-(5-chloro-2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517631
methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50892994
2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100541360
ethyl 2-(N-(3-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 52689634
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3,5-dimethylanilino)acetate
CID 50891887
ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate
CID 50895054
ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
CID 100510086
ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate?
The IUPAC name of ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate (CID 100543464) is ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate is CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate?
The InChIKey is QUCCIDKGQNBSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO5S/c1-3-26-17(22)10-21(13-7-11(18)6-12(19)8-13)27(23,24)14-4-5-16(25-2)15(20)9-14/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate?
ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate has a molecular weight of 436.29 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dichloro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 100543464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).