methyl 2-(hexan-3-ylsulfamoyl)benzoate

C14H21NO4S — CID 103833550

IUPACmethyl 2-(hexan-3-ylsulfamoyl)benzoate
SMILESCCCC(CC)NS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO4S/c1-4-8-11(5-2)15-20(17,18)13-10-7-6-9-12(13)14(16)19-3/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyNZWBRAIYVWIZQX-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.33
Rot. Bonds7

About methyl 2-(hexan-3-ylsulfamoyl)benzoate

methyl 2-(hexan-3-ylsulfamoyl)benzoate (PubChem CID 103833550) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is methyl 2-(hexan-3-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(hexan-3-ylsulfamoyl)benzoate
PubChem CID103833550
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-(hexan-3-ylsulfamoyl)benzoate
SMILESCCCC(CC)NS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO4S/c1-4-8-11(5-2)15-20(17,18)13-10-7-6-9-12(13)14(16)19-3/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyNZWBRAIYVWIZQX-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
methyl 2-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]benzoate
CID 61247386
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933807
methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)benzoate
CID 103836477
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide
CID 62117288
methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate
CID 3447772
methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate
CID 103833670
N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 62094388
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-[(propanoylamino)sulfamoyl]benzoate
CID 8505481
4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 101190058

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hexan-3-ylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(hexan-3-ylsulfamoyl)benzoate (CID 103833550) is methyl 2-(hexan-3-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(hexan-3-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(hexan-3-ylsulfamoyl)benzoate is CCCC(CC)NS(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(hexan-3-ylsulfamoyl)benzoate?
The InChIKey is NZWBRAIYVWIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-8-11(5-2)15-20(17,18)13-10-7-6-9-12(13)14(16)19-3/h6-7,9-11,15H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-(hexan-3-ylsulfamoyl)benzoate?
methyl 2-(hexan-3-ylsulfamoyl)benzoate has a molecular weight of 299.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hexan-3-ylsulfamoyl)benzoate is sourced from PubChem (CID 103833550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).