methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate

C15H14ClNO4S — CID 92683512

IUPACmethyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-21-15(18)12-4-2-11(3-5-12)10-22(19,20)17-14-8-6-13(16)7-9-14/h2-9,17H,10H2,1H3
InChIKeyAMGBLLMTGVLUQN-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.07
Rot. Bonds5

About methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate

methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate (PubChem CID 92683512) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
PubChem CID92683512
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Namemethyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-21-15(18)12-4-2-11(3-5-12)10-22(19,20)17-14-8-6-13(16)7-9-14/h2-9,17H,10H2,1H3
InChIKeyAMGBLLMTGVLUQN-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(benzylsulfonylamino)benzoate
CID 743645
methyl 4-[[4-(diethylaminomethyl)phenyl]sulfamoylmethyl]benzoate
CID 92681479
methyl 4-[[4-[(4-bromophenyl)sulfamoyl]phenyl]sulfamoylmethyl]benzoate
CID 43886174
methyl 4-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoate
CID 17225120
methyl 4-(1,3-benzodioxol-5-ylsulfamoylmethyl)benzoate
CID 92671973
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778592
methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate
CID 28632468
methyl 4-[(E)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]benzoate
CID 89368182
methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
CID 92681454
methyl 4-[[(2R)-2-hydroxypropyl]sulfamoylmethyl]benzoate
CID 83030316
methyl 4-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoate
CID 60675409
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate?
The IUPAC name of methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate (CID 92683512) is methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate is COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate?
The InChIKey is AMGBLLMTGVLUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-21-15(18)12-4-2-11(3-5-12)10-22(19,20)17-14-8-6-13(16)7-9-14/h2-9,17H,10H2,1H3.
What are the key properties of methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate?
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate has a molecular weight of 339.80 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate is sourced from PubChem (CID 92683512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).