[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate

C16H14Cl2N2O5S — CID 55367935

IUPAC[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1S(N)(=O)=O
InChIInChI=1S/C16H14Cl2N2O5S/c1-9-2-4-11(7-14(9)26(19,23)24)20-15(21)8-25-16(22)10-3-5-12(17)13(18)6-10/h2-7H,8H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyIECRENRMVYVUEU-UHFFFAOYSA-N
MW417.27 g/mol
LogP2.74
Rot. Bonds5

About [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate (PubChem CID 55367935) has the molecular formula C16H14Cl2N2O5S and a molecular weight of 417.27 g/mol. Its IUPAC name is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
PubChem CID55367935
Molecular FormulaC16H14Cl2N2O5S
Molecular Weight417.27 g/mol
Exact Mass416.00
IUPAC Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1S(N)(=O)=O
InChIInChI=1S/C16H14Cl2N2O5S/c1-9-2-4-11(7-14(9)26(19,23)24)20-15(21)8-25-16(22)10-3-5-12(17)13(18)6-10/h2-7H,8H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyIECRENRMVYVUEU-UHFFFAOYSA-N
XLogP2.74
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615177
[2-(4-tert-butylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2535262
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46626719
4-O-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506458
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823611
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2356788
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16598073
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513385
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568901
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18149649
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate?
The IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate (CID 55367935) is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate.
What is the SMILES notation for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate?
The canonical SMILES for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate is Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1S(N)(=O)=O.
What is the InChIKey of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate?
The InChIKey is IECRENRMVYVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O5S/c1-9-2-4-11(7-14(9)26(19,23)24)20-15(21)8-25-16(22)10-3-5-12(17)13(18)6-10/h2-7H,8H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate?
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate has a molecular weight of 417.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate is sourced from PubChem (CID 55367935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).