methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate

C14H21NO5S — CID 79378658

IUPACmethyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C14H21NO5S/c1-5-15(10-14(2,3)17)21(18,19)12-8-6-7-11(9-12)13(16)20-4/h6-9,17H,5,10H2,1-4H3
InChIKeyJSPPVYXLUCUOAG-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.25
Rot. Bonds6

About methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate

methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate (PubChem CID 79378658) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
PubChem CID79378658
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C14H21NO5S/c1-5-15(10-14(2,3)17)21(18,19)12-8-6-7-11(9-12)13(16)20-4/h6-9,17H,5,10H2,1-4H3
InChIKeyJSPPVYXLUCUOAG-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

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propanoylbenzenesulfonamide
CID 79379246
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378667
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
methyl 3-[bromo(ethyl)sulfamoyl]benzoate
CID 155615787
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 79378419
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378680
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate (CID 79378658) is methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate is CCN(CC(C)(C)O)S(=O)(=O)c1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate?
The InChIKey is JSPPVYXLUCUOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-5-15(10-14(2,3)17)21(18,19)12-8-6-7-11(9-12)13(16)20-4/h6-9,17H,5,10H2,1-4H3.
What are the key properties of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate?
methyl 3-[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 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate is sourced from PubChem (CID 79378658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).