[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate

C21H16ClNO5S — CID 16568827

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C21H16ClNO5S/c22-18-11-10-17(12-20(18)29(23,26)27)21(25)28-13-19(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,26,27)
InChIKeyGCFCXMPUPPGGCJ-UHFFFAOYSA-N
MW429.88 g/mol
LogP3.69
Rot. Bonds6

About [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate

[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate (PubChem CID 16568827) has the molecular formula C21H16ClNO5S and a molecular weight of 429.88 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
PubChem CID16568827
Molecular FormulaC21H16ClNO5S
Molecular Weight429.88 g/mol
Exact Mass429.04
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C21H16ClNO5S/c22-18-11-10-17(12-20(18)29(23,26)27)21(25)28-13-19(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,26,27)
InChIKeyGCFCXMPUPPGGCJ-UHFFFAOYSA-N
XLogP3.69
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16569415
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568901
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 27011600
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568897
[2-(2-benzylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 55317751
[2-(4-chlorophenyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510708
[2-(2,6-diethylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615233
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
[2-(4-methylphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate
CID 31804832

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate (CID 16568827) is [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate?
The InChIKey is GCFCXMPUPPGGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO5S/c22-18-11-10-17(12-20(18)29(23,26)27)21(25)28-13-19(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,26,27).
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate has a molecular weight of 429.88 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 16568827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).