methyl 4-(benzylsulfonylamino)benzoate

C15H15NO4S — CID 743645

IUPACmethyl 4-(benzylsulfonylamino)benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-20-15(17)13-7-9-14(10-8-13)16-21(18,19)11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyZWWXQQXVNYSKCU-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.42
Rot. Bonds5

About methyl 4-(benzylsulfonylamino)benzoate

methyl 4-(benzylsulfonylamino)benzoate (PubChem CID 743645) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 4-(benzylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(benzylsulfonylamino)benzoate
PubChem CID743645
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 4-(benzylsulfonylamino)benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-20-15(17)13-7-9-14(10-8-13)16-21(18,19)11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyZWWXQQXVNYSKCU-UHFFFAOYSA-N
XLogP2.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
methyl 4-[[4-(diethylaminomethyl)phenyl]sulfamoylmethyl]benzoate
CID 92681479
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
methyl 4-[[4-[(4-bromophenyl)sulfamoyl]phenyl]sulfamoylmethyl]benzoate
CID 43886174
methyl 4-[[2-(benzylsulfonylcarbamoylamino)phenyl]sulfonylamino]benzoate
CID 175695375
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide
CID 43104761
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
CID 130247707
methyl 4-(1,3-benzodioxol-5-ylsulfamoylmethyl)benzoate
CID 92671973
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate
CID 28632468
methyl 4-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoate
CID 60675409
methyl 4-(dimethylsulfamoylamino)benzoate
CID 884458

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylsulfonylamino)benzoate?
The IUPAC name of methyl 4-(benzylsulfonylamino)benzoate (CID 743645) is methyl 4-(benzylsulfonylamino)benzoate.
What is the SMILES notation for methyl 4-(benzylsulfonylamino)benzoate?
The canonical SMILES for methyl 4-(benzylsulfonylamino)benzoate is COC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of methyl 4-(benzylsulfonylamino)benzoate?
The InChIKey is ZWWXQQXVNYSKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-15(17)13-7-9-14(10-8-13)16-21(18,19)11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3.
What are the key properties of methyl 4-(benzylsulfonylamino)benzoate?
methyl 4-(benzylsulfonylamino)benzoate has a molecular weight of 305.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzylsulfonylamino)benzoate is sourced from PubChem (CID 743645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).