[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate

C14H12ClNO5S2 — CID 2662070

IUPAC[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C14H12ClNO5S2/c1-23(19,20)9-4-5-10(15)11(7-9)16-13(17)8-21-14(18)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyDHWJKGRHRUUUGL-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.60
Rot. Bonds5

About [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2662070) has the molecular formula C14H12ClNO5S2 and a molecular weight of 373.84 g/mol. Its IUPAC name is [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2662070
Molecular FormulaC14H12ClNO5S2
Molecular Weight373.84 g/mol
Exact Mass372.98
IUPAC Name[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C14H12ClNO5S2/c1-23(19,20)9-4-5-10(15)11(7-9)16-13(17)8-21-14(18)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyDHWJKGRHRUUUGL-UHFFFAOYSA-N
XLogP2.60
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3893296
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-iodobenzoate
CID 2662027
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503052
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7871878
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2662062
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469395
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2662041
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2662050
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2662150
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2662154
N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950284

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 2662070) is [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate is CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccs2)c1.
What is the InChIKey of [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is DHWJKGRHRUUUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5S2/c1-23(19,20)9-4-5-10(15)11(7-9)16-13(17)8-21-14(18)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 373.84 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2662070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).