methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate

C14H21NO5S — CID 102920579

IUPACmethyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO5S/c1-11(2)15(9-10-19-3)21(17,18)13-8-6-5-7-12(13)14(16)20-4/h5-8,11H,9-10H2,1-4H3
InChIKeyPLEYLHMLRZPEIP-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.52
Rot. Bonds7

About methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate

methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate (PubChem CID 102920579) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
PubChem CID102920579
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO5S/c1-11(2)15(9-10-19-3)21(17,18)13-8-6-5-7-12(13)14(16)20-4/h5-8,11H,9-10H2,1-4H3
InChIKeyPLEYLHMLRZPEIP-UHFFFAOYSA-N
XLogP1.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 82949234
methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
CID 103833460
methyl 2-[3-methoxypropyl(methyl)sulfamoyl]benzoate
CID 103628065
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468
2-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82937866
(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
CID 67904319
4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 102931550
methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51169901
methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
CID 103833585
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
2-bromo-5-(hydroxymethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82953173
4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 82948456

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate (CID 102920579) is methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate is COCCN(C(C)C)S(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate?
The InChIKey is PLEYLHMLRZPEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-11(2)15(9-10-19-3)21(17,18)13-8-6-5-7-12(13)14(16)20-4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate?
methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate has a molecular weight of 315.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 102920579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).