2-[4-(propylsulfonylamino)phenyl]acetic acid

C11H15NO4S — CID 16786405

IUPAC2-[4-(propylsulfonylamino)phenyl]acetic acid
SMILESCCCS(=O)(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-2-7-17(15,16)12-10-5-3-9(4-6-10)8-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14)
InChIKeySGHHHUBQGRMHAT-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.47
Rot. Bonds6

About 2-[4-(propylsulfonylamino)phenyl]acetic acid

2-[4-(propylsulfonylamino)phenyl]acetic acid (PubChem CID 16786405) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[4-(propylsulfonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(propylsulfonylamino)phenyl]acetic acid
PubChem CID16786405
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[4-(propylsulfonylamino)phenyl]acetic acid
SMILESCCCS(=O)(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-2-7-17(15,16)12-10-5-3-9(4-6-10)8-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14)
InChIKeySGHHHUBQGRMHAT-UHFFFAOYSA-N
XLogP1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
CID 43714343
N-[4-[(dimethylamino)methyl]phenyl]propane-1-sulfonamide
CID 64585715
4-[4-(propylsulfonylamino)phenyl]pentanoic acid
CID 115420755
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
2-[4-(ethylsulfonylmethyl)phenyl]acetic acid
CID 105345558
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670
N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
CID 113436723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylsulfonylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(propylsulfonylamino)phenyl]acetic acid (CID 16786405) is 2-[4-(propylsulfonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(propylsulfonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(propylsulfonylamino)phenyl]acetic acid is CCCS(=O)(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(propylsulfonylamino)phenyl]acetic acid?
The InChIKey is SGHHHUBQGRMHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-7-17(15,16)12-10-5-3-9(4-6-10)8-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[4-(propylsulfonylamino)phenyl]acetic acid?
2-[4-(propylsulfonylamino)phenyl]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylsulfonylamino)phenyl]acetic acid is sourced from PubChem (CID 16786405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).