methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate

C13H17NO4S — CID 103833670

IUPACmethyl 2-(pent-4-en-2-ylsulfamoyl)benzoate
SMILESC=CCC(C)NS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C13H17NO4S/c1-4-7-10(2)14-19(16,17)12-9-6-5-8-11(12)13(15)18-3/h4-6,8-10,14H,1,7H2,2-3H3
InChIKeyCSRSFDGQKDTOLV-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.72
Rot. Bonds6

About methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate

methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate (PubChem CID 103833670) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(pent-4-en-2-ylsulfamoyl)benzoate
PubChem CID103833670
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Namemethyl 2-(pent-4-en-2-ylsulfamoyl)benzoate
SMILESC=CCC(C)NS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C13H17NO4S/c1-4-7-10(2)14-19(16,17)12-9-6-5-8-11(12)13(15)18-3/h4-6,8-10,14H,1,7H2,2-3H3
InChIKeyCSRSFDGQKDTOLV-UHFFFAOYSA-N
XLogP1.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)benzoate
CID 103836477
methyl 2-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]benzoate
CID 61247386
2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113317113
methyl 2-(hexan-3-ylsulfamoyl)benzoate
CID 103833550
methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate
CID 3447772
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933807
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215504
4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 101190058

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate (CID 103833670) is methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate is C=CCC(C)NS(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate?
The InChIKey is CSRSFDGQKDTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-4-7-10(2)14-19(16,17)12-9-6-5-8-11(12)13(15)18-3/h4-6,8-10,14H,1,7H2,2-3H3.
What are the key properties of methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate?
methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate has a molecular weight of 283.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 103833670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).