2-[(4-propylphenyl)sulfamoyl]propanoic acid

C12H17NO4S — CID 54947538

IUPAC2-[(4-propylphenyl)sulfamoyl]propanoic acid
SMILESCCCc1ccc(NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO4S/c1-3-4-10-5-7-11(8-6-10)13-18(16,17)9(2)12(14)15/h5-9,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyWMUBCKHQRSHDFL-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.85
Rot. Bonds6

About 2-[(4-propylphenyl)sulfamoyl]propanoic acid

2-[(4-propylphenyl)sulfamoyl]propanoic acid (PubChem CID 54947538) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4-propylphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(4-propylphenyl)sulfamoyl]propanoic acid
PubChem CID54947538
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-[(4-propylphenyl)sulfamoyl]propanoic acid
SMILESCCCc1ccc(NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO4S/c1-3-4-10-5-7-11(8-6-10)13-18(16,17)9(2)12(14)15/h5-9,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyWMUBCKHQRSHDFL-UHFFFAOYSA-N
XLogP1.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
CID 114253050
2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid
CID 61455083
2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61454647
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
3-methyl-2-[(4-propylphenyl)carbamoyl]butanoic acid
CID 115186130
2-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
CID 61455047
1-(cyclopropylamino)-N-(4-propylphenyl)propane-2-sulfonamide
CID 106026307
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
2-(4-propylphenyl)propanoic acid
CID 14880971
(2S)-3-methyl-2-[(4-propylphenyl)carbamoylamino]butanoic acid
CID 61197691
2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670
2-amino-N-(4-propylphenyl)propanamide
CID 43378686

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(4-propylphenyl)sulfamoyl]propanoic acid (CID 54947538) is 2-[(4-propylphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(4-propylphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(4-propylphenyl)sulfamoyl]propanoic acid is CCCc1ccc(NS(=O)(=O)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-propylphenyl)sulfamoyl]propanoic acid?
The InChIKey is WMUBCKHQRSHDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-4-10-5-7-11(8-6-10)13-18(16,17)9(2)12(14)15/h5-9,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-propylphenyl)sulfamoyl]propanoic acid?
2-[(4-propylphenyl)sulfamoyl]propanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54947538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).