phenyl 2-chloro-5-(diethylsulfamoyl)benzoate

C17H18ClNO4S — CID 2668421

IUPACphenyl 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C17H18ClNO4S/c1-3-19(4-2)24(21,22)14-10-11-16(18)15(12-14)17(20)23-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyFBVLAJVQHIIOON-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.59
Rot. Bonds6

About phenyl 2-chloro-5-(diethylsulfamoyl)benzoate

phenyl 2-chloro-5-(diethylsulfamoyl)benzoate (PubChem CID 2668421) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is phenyl 2-chloro-5-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Namephenyl 2-chloro-5-(diethylsulfamoyl)benzoate
PubChem CID2668421
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Namephenyl 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C17H18ClNO4S/c1-3-19(4-2)24(21,22)14-10-11-16(18)15(12-14)17(20)23-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyFBVLAJVQHIIOON-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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Related Compounds

(4-chlorophenyl) 2-chloro-5-(diethylsulfamoyl)benzoate
CID 1330481
1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521782
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
phenyl 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylbenzoate
CID 8765429
(4-bromo-2-chloro-6-methylphenyl) 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2673569
[2-(dimethylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 7981376
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510286
(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate
CID 2678971
[1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 55390184
[(1S)-1-cyanoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510116
phenyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 8765368

Frequently Asked Questions

What is the IUPAC name of phenyl 2-chloro-5-(diethylsulfamoyl)benzoate?
The IUPAC name of phenyl 2-chloro-5-(diethylsulfamoyl)benzoate (CID 2668421) is phenyl 2-chloro-5-(diethylsulfamoyl)benzoate.
What is the SMILES notation for phenyl 2-chloro-5-(diethylsulfamoyl)benzoate?
The canonical SMILES for phenyl 2-chloro-5-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl 2-chloro-5-(diethylsulfamoyl)benzoate?
The InChIKey is FBVLAJVQHIIOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-3-19(4-2)24(21,22)14-10-11-16(18)15(12-14)17(20)23-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3.
What are the key properties of phenyl 2-chloro-5-(diethylsulfamoyl)benzoate?
phenyl 2-chloro-5-(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 phenyl 2-chloro-5-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2668421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).