[2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

C17H16ClNO6S — CID 8738370

IUPAC[2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H16ClNO6S/c1-24-14-8-7-11(18)9-12(14)17(21)25-10-16(20)19-13-5-3-4-6-15(13)26(2,22)23/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyULNCZMHAHSTDJC-UHFFFAOYSA-N
MW397.84 g/mol
LogP2.55
Rot. Bonds6

About [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

[2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (PubChem CID 8738370) has the molecular formula C17H16ClNO6S and a molecular weight of 397.84 g/mol. Its IUPAC name is [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
PubChem CID8738370
Molecular FormulaC17H16ClNO6S
Molecular Weight397.84 g/mol
Exact Mass397.04
IUPAC Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H16ClNO6S/c1-24-14-8-7-11(18)9-12(14)17(21)25-10-16(20)19-13-5-3-4-6-15(13)26(2,22)23/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyULNCZMHAHSTDJC-UHFFFAOYSA-N
XLogP2.55
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614904
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582401
[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7235662
[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615045
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592
methyl 3-[[2-(5-chloro-2-methoxybenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 7291388
methyl 3-methoxy-4-[2-(2-methylsulfonylanilino)-2-oxoethoxy]benzoate
CID 8728892
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624069
[2-(2-iodoanilino)-2-oxoethyl] 2-methoxy-5-methylbenzoate
CID 35222238
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766550
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42967797

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (CID 8738370) is [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is ULNCZMHAHSTDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO6S/c1-24-14-8-7-11(18)9-12(14)17(21)25-10-16(20)19-13-5-3-4-6-15(13)26(2,22)23/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
[2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 397.84 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfonylanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 8738370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).