[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

C19H14ClNO5S2 — CID 2380169

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO5S2/c20-14-9-7-13(8-10-14)17(22)12-26-19(23)15-4-1-2-5-16(15)21-28(24,25)18-6-3-11-27-18/h1-11,21H,12H2
InChIKeyGPYJTFLPZYXCMD-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.24
Rot. Bonds7

About [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 2380169) has the molecular formula C19H14ClNO5S2 and a molecular weight of 435.91 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID2380169
Molecular FormulaC19H14ClNO5S2
Molecular Weight435.91 g/mol
Exact Mass435.00
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO5S2/c20-14-9-7-13(8-10-14)17(22)12-26-19(23)15-4-1-2-5-16(15)21-28(24,25)18-6-3-11-27-18/h1-11,21H,12H2
InChIKeyGPYJTFLPZYXCMD-UHFFFAOYSA-N
XLogP4.24
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 16521702
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16539393
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620113
(2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2385509
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 7371081
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620126
[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25042549

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate (CID 2380169) is [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate is O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is GPYJTFLPZYXCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO5S2/c20-14-9-7-13(8-10-14)17(22)12-26-19(23)15-4-1-2-5-16(15)21-28(24,25)18-6-3-11-27-18/h1-11,21H,12H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 435.91 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 2380169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).