5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid

C13H18N2O5S — CID 119235172

IUPAC5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
SMILESNS(=O)(=O)Cc1cccc(C(=O)NCCCCC(=O)O)c1
InChIInChI=1S/C13H18N2O5S/c14-21(19,20)9-10-4-3-5-11(8-10)13(18)15-7-2-1-6-12(16)17/h3-5,8H,1-2,6-7,9H2,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyWJGBXPCWJXTPOC-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.46
Rot. Bonds8

About 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid

5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid (PubChem CID 119235172) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
PubChem CID119235172
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
SMILESNS(=O)(=O)Cc1cccc(C(=O)NCCCCC(=O)O)c1
InChIInChI=1S/C13H18N2O5S/c14-21(19,20)9-10-4-3-5-11(8-10)13(18)15-7-2-1-6-12(16)17/h3-5,8H,1-2,6-7,9H2,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyWJGBXPCWJXTPOC-UHFFFAOYSA-N
XLogP0.46
TPSA126.56 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 ≤ 50.46
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

5-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 62033959
4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119204515
N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide
CID 106234962
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107
2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid
CID 119225711
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
6-[(3-acetamidobenzoyl)amino]hexanoic acid
CID 43170043
5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119235236
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119235246
8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine
CID 175439236
N-(2-piperidin-3-ylethyl)-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 119555848

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid (CID 119235172) is 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid is NS(=O)(=O)Cc1cccc(C(=O)NCCCCC(=O)O)c1.
What is the InChIKey of 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid?
The InChIKey is WJGBXPCWJXTPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c14-21(19,20)9-10-4-3-5-11(8-10)13(18)15-7-2-1-6-12(16)17/h3-5,8H,1-2,6-7,9H2,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid?
5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119235172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).