2-[benzyl(ethyl)sulfamoyl]propanoic acid

C12H17NO4S — CID 54947324

IUPAC2-[benzyl(ethyl)sulfamoyl]propanoic acid
SMILESCCN(Cc1ccccc1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C12H17NO4S/c1-3-13(9-11-7-5-4-6-8-11)18(16,17)10(2)12(14)15/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyCFAZWKGCSZOLSI-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.31
Rot. Bonds6

About 2-[benzyl(ethyl)sulfamoyl]propanoic acid

2-[benzyl(ethyl)sulfamoyl]propanoic acid (PubChem CID 54947324) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[benzyl(ethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[benzyl(ethyl)sulfamoyl]propanoic acid
PubChem CID54947324
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-[benzyl(ethyl)sulfamoyl]propanoic acid
SMILESCCN(Cc1ccccc1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C12H17NO4S/c1-3-13(9-11-7-5-4-6-8-11)18(16,17)10(2)12(14)15/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyCFAZWKGCSZOLSI-UHFFFAOYSA-N
XLogP1.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dibenzylsulfamoyl)propanethioamide
CID 130160660
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
2-[butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
2-(benzenesulfonyl)-N,N-dibenzylpropanamide
CID 112779733
N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817
N-benzyl-N-ethylethenesulfonamide
CID 130543897
2-[(4-hydroxyphenyl)methyl-methylsulfamoyl]propanoic acid
CID 54947444
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[benzyl(ethyl)sulfamoyl]propanoic acid (CID 54947324) is 2-[benzyl(ethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[benzyl(ethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[benzyl(ethyl)sulfamoyl]propanoic acid is CCN(Cc1ccccc1)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[benzyl(ethyl)sulfamoyl]propanoic acid?
The InChIKey is CFAZWKGCSZOLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-13(9-11-7-5-4-6-8-11)18(16,17)10(2)12(14)15/h4-8,10H,3,9H2,1-2H3,(H,14,15).
What are the key properties of 2-[benzyl(ethyl)sulfamoyl]propanoic acid?
2-[benzyl(ethyl)sulfamoyl]propanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54947324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).