4-[benzyl(propyl)sulfamoyl]butanoic acid

C14H21NO4S — CID 43173076

IUPAC4-[benzyl(propyl)sulfamoyl]butanoic acid
SMILESCCCN(Cc1ccccc1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H21NO4S/c1-2-10-15(12-13-7-4-3-5-8-13)20(18,19)11-6-9-14(16)17/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,17)
InChIKeyHFGJINFEWYZPSL-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.09
Rot. Bonds9

About 4-[benzyl(propyl)sulfamoyl]butanoic acid

4-[benzyl(propyl)sulfamoyl]butanoic acid (PubChem CID 43173076) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-[benzyl(propyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[benzyl(propyl)sulfamoyl]butanoic acid
PubChem CID43173076
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-[benzyl(propyl)sulfamoyl]butanoic acid
SMILESCCCN(Cc1ccccc1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H21NO4S/c1-2-10-15(12-13-7-4-3-5-8-13)20(18,19)11-6-9-14(16)17/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,17)
InChIKeyHFGJINFEWYZPSL-UHFFFAOYSA-N
XLogP2.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879
4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid
CID 43588369
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
methyl 3-[3-aminopropyl(benzyl)sulfamoyl]propanoate
CID 107366691
3-[benzyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60948432
3-chloro-N-[(4-methylphenyl)methyl]-N-propylpropane-1-sulfonamide
CID 54877398
3-[butylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82326435
N-benzyl-2-[butylsulfonyl(propyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3325206
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-benzyl-3-chloro-2-methyl-N-propylpropane-1-sulfonamide
CID 79580738

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[benzyl(propyl)sulfamoyl]butanoic acid (CID 43173076) is 4-[benzyl(propyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[benzyl(propyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[benzyl(propyl)sulfamoyl]butanoic acid is CCCN(Cc1ccccc1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[benzyl(propyl)sulfamoyl]butanoic acid?
The InChIKey is HFGJINFEWYZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-2-10-15(12-13-7-4-3-5-8-13)20(18,19)11-6-9-14(16)17/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,17).
What are the key properties of 4-[benzyl(propyl)sulfamoyl]butanoic acid?
4-[benzyl(propyl)sulfamoyl]butanoic acid has a molecular weight of 299.39 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43173076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).