5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid

C13H18N2O5S — CID 119234298

IUPAC5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c1-14-21(19,20)11-7-5-10(6-8-11)13(18)15-9-3-2-4-12(16)17/h5-8,14H,2-4,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGONVWHNCBWWPEC-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.58
Rot. Bonds8

About 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid

5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid (PubChem CID 119234298) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
PubChem CID119234298
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c1-14-21(19,20)11-7-5-10(6-8-11)13(18)15-9-3-2-4-12(16)17/h5-8,14H,2-4,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGONVWHNCBWWPEC-UHFFFAOYSA-N
XLogP0.58
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
CID 119219755
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
7-[[4-[4-[(2-methylcycloprop-2-ene-1-carbonyl)amino]butanoylsulfamoyl]benzoyl]amino]heptanoic acid
CID 170959681
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
CID 119350798

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid (CID 119234298) is 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid is CNS(=O)(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1.
What is the InChIKey of 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid?
The InChIKey is GONVWHNCBWWPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-14-21(19,20)11-7-5-10(6-8-11)13(18)15-9-3-2-4-12(16)17/h5-8,14H,2-4,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid?
5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119234298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).