methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate

C14H21NO5S — CID 79378667

IUPACmethyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H21NO5S/c1-5-15(10-14(2,3)17)21(18,19)12-8-6-11(7-9-12)13(16)20-4/h6-9,17H,5,10H2,1-4H3
InChIKeyZSGUXYYRZMPQPD-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.25
Rot. Bonds6

About methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate

methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate (PubChem CID 79378667) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
PubChem CID79378667
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H21NO5S/c1-5-15(10-14(2,3)17)21(18,19)12-8-6-11(7-9-12)13(16)20-4/h6-9,17H,5,10H2,1-4H3
InChIKeyZSGUXYYRZMPQPD-UHFFFAOYSA-N
XLogP1.25
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378658
4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzenecarbothioamide
CID 79376789
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378680
4-(cyanomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79387338
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 81438560
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 56724224
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
CID 8705374
methyl 4-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 2242857
methyl 4-[[2-[ethyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]benzoate
CID 2986721
methyl 4-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 65113818
3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382428

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate (CID 79378667) is methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate is CCN(CC(C)(C)O)S(=O)(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate?
The InChIKey is ZSGUXYYRZMPQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-5-15(10-14(2,3)17)21(18,19)12-8-6-11(7-9-12)13(16)20-4/h6-9,17H,5,10H2,1-4H3.
What are the key properties of methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate?
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate has a molecular weight of 315.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate is sourced from PubChem (CID 79378667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).