methyl 3-[benzyl(ethyl)sulfamoyl]benzoate

C17H19NO4S — CID 31701224

IUPACmethyl 3-[benzyl(ethyl)sulfamoyl]benzoate
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C17H19NO4S/c1-3-18(13-14-8-5-4-6-9-14)23(20,21)16-11-7-10-15(12-16)17(19)22-2/h4-12H,3,13H2,1-2H3
InChIKeyVUAPKFAEJROXBY-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.68
Rot. Bonds6

About methyl 3-[benzyl(ethyl)sulfamoyl]benzoate

methyl 3-[benzyl(ethyl)sulfamoyl]benzoate (PubChem CID 31701224) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is methyl 3-[benzyl(ethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[benzyl(ethyl)sulfamoyl]benzoate
PubChem CID31701224
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Namemethyl 3-[benzyl(ethyl)sulfamoyl]benzoate
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C17H19NO4S/c1-3-18(13-14-8-5-4-6-9-14)23(20,21)16-11-7-10-15(12-16)17(19)22-2/h4-12H,3,13H2,1-2H3
InChIKeyVUAPKFAEJROXBY-UHFFFAOYSA-N
XLogP2.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
methyl 3-[bromo(ethyl)sulfamoyl]benzoate
CID 155615787
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378658
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate
CID 44549141
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 9094420
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
CID 8705374
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl(ethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[benzyl(ethyl)sulfamoyl]benzoate (CID 31701224) is methyl 3-[benzyl(ethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[benzyl(ethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[benzyl(ethyl)sulfamoyl]benzoate is CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[benzyl(ethyl)sulfamoyl]benzoate?
The InChIKey is VUAPKFAEJROXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-18(13-14-8-5-4-6-9-14)23(20,21)16-11-7-10-15(12-16)17(19)22-2/h4-12H,3,13H2,1-2H3.
What are the key properties of methyl 3-[benzyl(ethyl)sulfamoyl]benzoate?
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate has a molecular weight of 333.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl(ethyl)sulfamoyl]benzoate is sourced from PubChem (CID 31701224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).