phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate

C20H15Cl2NO4S — CID 2668465

IUPACphenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Oc2ccccc2)ccc1Cl
InChIInChI=1S/C20H15Cl2NO4S/c1-23(16-10-8-15(21)9-11-16)28(25,26)19-13-14(7-12-18(19)22)20(24)27-17-5-3-2-4-6-17/h2-13H,1H3
InChIKeyRYZZGWKDHAGLID-UHFFFAOYSA-N
MW436.32 g/mol
LogP5.04
Rot. Bonds5

About phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate

phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate (PubChem CID 2668465) has the molecular formula C20H15Cl2NO4S and a molecular weight of 436.32 g/mol. Its IUPAC name is phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namephenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
PubChem CID2668465
Molecular FormulaC20H15Cl2NO4S
Molecular Weight436.32 g/mol
Exact Mass435.01
IUPAC Namephenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Oc2ccccc2)ccc1Cl
InChIInChI=1S/C20H15Cl2NO4S/c1-23(16-10-8-15(21)9-11-16)28(25,26)19-13-14(7-12-18(19)22)20(24)27-17-5-3-2-4-6-17/h2-13H,1H3
InChIKeyRYZZGWKDHAGLID-UHFFFAOYSA-N
XLogP5.04
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.32
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl) 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2667235
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 55751084
2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 2460524
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 3439145
methyl 3-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509417
(4-methoxycarbonylphenyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 9192150
[4-[benzenesulfonyl(methyl)amino]phenyl] 3,4-dimethylbenzoate
CID 71904341
phenyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 8765375
(4-chlorophenyl) 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2667252
2-chloro-5-[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 3638466
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
CID 2378522
[4-[(2,5-dichlorophenyl)sulfonyl-(4-methylbenzoyl)amino]phenyl] 4-methylbenzoate
CID 23945506

Frequently Asked Questions

What is the IUPAC name of phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate?
The IUPAC name of phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate (CID 2668465) is phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Oc2ccccc2)ccc1Cl.
What is the InChIKey of phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate?
The InChIKey is RYZZGWKDHAGLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO4S/c1-23(16-10-8-15(21)9-11-16)28(25,26)19-13-14(7-12-18(19)22)20(24)27-17-5-3-2-4-6-17/h2-13H,1H3.
What are the key properties of phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate?
phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate has a molecular weight of 436.32 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2668465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).