methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate

C16H17NO4S — CID 26487109

IUPACmethyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
SMILESCCc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C16H17NO4S/c1-3-12-4-8-14(9-5-12)17-22(19,20)15-10-6-13(7-11-15)16(18)21-2/h4-11,17H,3H2,1-2H3
InChIKeyTVRUODXBMNGQNA-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.84
Rot. Bonds5

About methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate

methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate (PubChem CID 26487109) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
PubChem CID26487109
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Namemethyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
SMILESCCc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C16H17NO4S/c1-3-12-4-8-14(9-5-12)17-22(19,20)15-10-6-13(7-11-15)16(18)21-2/h4-11,17H,3H2,1-2H3
InChIKeyTVRUODXBMNGQNA-UHFFFAOYSA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate
CID 55901947
methyl 4-[[4-[(4-bromophenyl)sulfamoyl]phenyl]sulfamoylmethyl]benzoate
CID 43886174
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 109061565
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109058620
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate (CID 26487109) is methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate is CCc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate?
The InChIKey is TVRUODXBMNGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-3-12-4-8-14(9-5-12)17-22(19,20)15-10-6-13(7-11-15)16(18)21-2/h4-11,17H,3H2,1-2H3.
What are the key properties of methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate?
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate has a molecular weight of 319.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 26487109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).