methyl 2-(2-ethylbutylsulfamoyl)benzoate

C14H21NO4S — CID 115753533

IUPACmethyl 2-(2-ethylbutylsulfamoyl)benzoate
SMILESCCC(CC)CNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO4S/c1-4-11(5-2)10-15-20(17,18)13-9-7-6-8-12(13)14(16)19-3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyUCTFRUGDSUISAP-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.19
Rot. Bonds7

About methyl 2-(2-ethylbutylsulfamoyl)benzoate

methyl 2-(2-ethylbutylsulfamoyl)benzoate (PubChem CID 115753533) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is methyl 2-(2-ethylbutylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-ethylbutylsulfamoyl)benzoate
PubChem CID115753533
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-(2-ethylbutylsulfamoyl)benzoate
SMILESCCC(CC)CNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO4S/c1-4-11(5-2)10-15-20(17,18)13-9-7-6-8-12(13)14(16)19-3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyUCTFRUGDSUISAP-UHFFFAOYSA-N
XLogP2.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610
methyl 2-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]benzoate
CID 103836933
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
methyl 2-(hexan-3-ylsulfamoyl)benzoate
CID 103833550
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylbutylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(2-ethylbutylsulfamoyl)benzoate (CID 115753533) is methyl 2-(2-ethylbutylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(2-ethylbutylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(2-ethylbutylsulfamoyl)benzoate is CCC(CC)CNS(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(2-ethylbutylsulfamoyl)benzoate?
The InChIKey is UCTFRUGDSUISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-11(5-2)10-15-20(17,18)13-9-7-6-8-12(13)14(16)19-3/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-(2-ethylbutylsulfamoyl)benzoate?
methyl 2-(2-ethylbutylsulfamoyl)benzoate has a molecular weight of 299.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylbutylsulfamoyl)benzoate is sourced from PubChem (CID 115753533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).