ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate

C17H17Cl2NO4S — CID 50892222

IUPACethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17Cl2NO4S/c1-3-24-17(21)11-20(16-9-6-13(18)10-15(16)19)25(22,23)14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3
InChIKeyFPRFCMAUFJUHSM-UHFFFAOYSA-N
MW402.30 g/mol
LogP4.06
Rot. Bonds6

About ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate

ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate (PubChem CID 50892222) has the molecular formula C17H17Cl2NO4S and a molecular weight of 402.30 g/mol. Its IUPAC name is ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
PubChem CID50892222
Molecular FormulaC17H17Cl2NO4S
Molecular Weight402.30 g/mol
Exact Mass401.03
IUPAC Nameethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17Cl2NO4S/c1-3-24-17(21)11-20(16-9-6-13(18)10-15(16)19)25(22,23)14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3
InChIKeyFPRFCMAUFJUHSM-UHFFFAOYSA-N
XLogP4.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
methyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 1050006
ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate
CID 50893261
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
CID 100503333
ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
ethyl 2-(5-chloro-2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517631
ethyl 2-(2,4-dimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100515323
2-[[2-[N-(benzenesulfonyl)-2,4-dichloroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132689967
2-[[2-[N-(benzenesulfonyl)-2,4-dichloroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132694067
2-(N-(4-bromophenyl)sulfonyl-2,4-dichloroanilino)acetic acid
CID 50892250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate?
The IUPAC name of ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate (CID 50892222) is ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate is CCOC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate?
The InChIKey is FPRFCMAUFJUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S/c1-3-24-17(21)11-20(16-9-6-13(18)10-15(16)19)25(22,23)14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate?
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate has a molecular weight of 402.30 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50892222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).