3-[benzyl(propyl)sulfamoyl]propanoic acid

C13H19NO4S — CID 43362028

IUPAC3-[benzyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(Cc1ccccc1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C13H19NO4S/c1-2-9-14(11-12-6-4-3-5-7-12)19(17,18)10-8-13(15)16/h3-7H,2,8-11H2,1H3,(H,15,16)
InChIKeyAGOCIKAJUQBDFL-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.70
Rot. Bonds8

About 3-[benzyl(propyl)sulfamoyl]propanoic acid

3-[benzyl(propyl)sulfamoyl]propanoic acid (PubChem CID 43362028) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-[benzyl(propyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[benzyl(propyl)sulfamoyl]propanoic acid
PubChem CID43362028
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name3-[benzyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(Cc1ccccc1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C13H19NO4S/c1-2-9-14(11-12-6-4-3-5-7-12)19(17,18)10-8-13(15)16/h3-7H,2,8-11H2,1H3,(H,15,16)
InChIKeyAGOCIKAJUQBDFL-UHFFFAOYSA-N
XLogP1.70
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(propyl)sulfamoyl]butanoic acid
CID 43173076
3-[benzyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60948432
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
methyl 3-[3-aminopropyl(benzyl)sulfamoyl]propanoate
CID 107366691
N-benzyl-3-chloro-2-methyl-N-propylpropane-1-sulfonamide
CID 79580738
3-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]propanoic acid
CID 43588371
3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
CID 43578537
3-[(2-chlorophenyl)methyl-ethylsulfamoyl]propanoic acid
CID 60951558
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
CID 113222280
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[benzyl(propyl)sulfamoyl]propanoic acid (CID 43362028) is 3-[benzyl(propyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[benzyl(propyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[benzyl(propyl)sulfamoyl]propanoic acid is CCCN(Cc1ccccc1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[benzyl(propyl)sulfamoyl]propanoic acid?
The InChIKey is AGOCIKAJUQBDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-9-14(11-12-6-4-3-5-7-12)19(17,18)10-8-13(15)16/h3-7H,2,8-11H2,1H3,(H,15,16).
What are the key properties of 3-[benzyl(propyl)sulfamoyl]propanoic acid?
3-[benzyl(propyl)sulfamoyl]propanoic acid has a molecular weight of 285.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43362028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).