(4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

C22H18ClNO4S — CID 2667184

IUPAC(4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18ClNO4S/c1-2-15-24(19-8-4-3-5-9-19)29(26,27)21-10-6-7-17(16-21)22(25)28-20-13-11-18(23)12-14-20/h2-14,16H,1,15H2
InChIKeySQYVYIJXMAIFCO-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.94
Rot. Bonds7

About (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

(4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate (PubChem CID 2667184) has the molecular formula C22H18ClNO4S and a molecular weight of 427.91 g/mol. Its IUPAC name is (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
PubChem CID2667184
Molecular FormulaC22H18ClNO4S
Molecular Weight427.91 g/mol
Exact Mass427.06
IUPAC Name(4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18ClNO4S/c1-2-15-24(19-8-4-3-5-9-19)29(26,27)21-10-6-7-17(16-21)22(25)28-20-13-11-18(23)12-14-20/h2-14,16H,1,15H2
InChIKeySQYVYIJXMAIFCO-UHFFFAOYSA-N
XLogP4.94
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoylphenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 3263241
[2-(4-chlorophenyl)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2595941
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2609446
[(2R)-3-oxobutan-2-yl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 30047508
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2609494
(4-cyanophenyl) 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2409931
[2-(ethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2609460
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2595869
(4-chlorophenyl) 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2667252
N-(4-ethoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4799866
(2-oxo-2-thiophen-2-ylethyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2596034
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate?
The IUPAC name of (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate (CID 2667184) is (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate.
What is the SMILES notation for (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate?
The canonical SMILES for (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate?
The InChIKey is SQYVYIJXMAIFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4S/c1-2-15-24(19-8-4-3-5-9-19)29(26,27)21-10-6-7-17(16-21)22(25)28-20-13-11-18(23)12-14-20/h2-14,16H,1,15H2.
What are the key properties of (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate?
(4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate has a molecular weight of 427.91 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate is sourced from PubChem (CID 2667184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).