methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate

C19H23NO4S — CID 100719949

IUPACmethyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate
SMILESCCc1ccc(CC)c(CNS(=O)(=O)c2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C19H23NO4S/c1-4-14-9-10-15(5-2)17(11-14)13-20-25(22,23)18-8-6-7-16(12-18)19(21)24-3/h6-12,20H,4-5,13H2,1-3H3
InChIKeyCGCPZRHDDLBSSJ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.08
Rot. Bonds7

About methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate

methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate (PubChem CID 100719949) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate
PubChem CID100719949
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Namemethyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate
SMILESCCc1ccc(CC)c(CNS(=O)(=O)c2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C19H23NO4S/c1-4-14-9-10-15(5-2)17(11-14)13-20-25(22,23)18-8-6-7-16(12-18)19(21)24-3/h6-12,20H,4-5,13H2,1-3H3
InChIKeyCGCPZRHDDLBSSJ-UHFFFAOYSA-N
XLogP3.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-fluoro-4-methylphenyl)methylsulfamoyl]benzoate
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CID 43093020
methyl 3-(prop-2-enylsulfamoyl)benzoate
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methyl 3-(2-methylprop-2-enylsulfamoyl)benzoate
CID 114616574
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987
methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
CID 31701712
3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
methyl 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoate
CID 94008888
methyl 3-[(4-imidazol-1-ylphenyl)methylsulfamoyl]benzoate
CID 95176031
methyl 3-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 66170749

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate (CID 100719949) is methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate is CCc1ccc(CC)c(CNS(=O)(=O)c2cccc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate?
The InChIKey is CGCPZRHDDLBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-14-9-10-15(5-2)17(11-14)13-20-25(22,23)18-8-6-7-16(12-18)19(21)24-3/h6-12,20H,4-5,13H2,1-3H3.
What are the key properties of methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate?
methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate has a molecular weight of 361.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-diethylphenyl)methylsulfamoyl]benzoate is sourced from PubChem (CID 100719949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).