(4-chlorophenyl) 4-(diethylsulfamoyl)benzoate

C17H18ClNO4S — CID 2322443

IUPAC(4-chlorophenyl) 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-3-19(4-2)24(21,22)16-11-5-13(6-12-16)17(20)23-15-9-7-14(18)8-10-15/h5-12H,3-4H2,1-2H3
InChIKeyRGOABGPFDSYUNH-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.59
Rot. Bonds6

About (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate

(4-chlorophenyl) 4-(diethylsulfamoyl)benzoate (PubChem CID 2322443) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4-chlorophenyl) 4-(diethylsulfamoyl)benzoate
PubChem CID2322443
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name(4-chlorophenyl) 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-3-19(4-2)24(21,22)16-11-5-13(6-12-16)17(20)23-15-9-7-14(18)8-10-15/h5-12H,3-4H2,1-2H3
InChIKeyRGOABGPFDSYUNH-UHFFFAOYSA-N
XLogP3.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate?
The IUPAC name of (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate (CID 2322443) is (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate?
The InChIKey is RGOABGPFDSYUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-3-19(4-2)24(21,22)16-11-5-13(6-12-16)17(20)23-15-9-7-14(18)8-10-15/h5-12H,3-4H2,1-2H3.
What are the key properties of (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate?
(4-chlorophenyl) 4-(diethylsulfamoyl)benzoate has a molecular weight of 367.85 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2322443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).