4-[4-(propylsulfonylamino)phenyl]pentanoic acid

C14H21NO4S — CID 115420755

IUPAC4-[4-(propylsulfonylamino)phenyl]pentanoic acid
SMILESCCCS(=O)(=O)Nc1ccc(C(C)CCC(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-3-10-20(18,19)15-13-7-5-12(6-8-13)11(2)4-9-14(16)17/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyDIFVNRGGQOJZRJ-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.81
Rot. Bonds8

About 4-[4-(propylsulfonylamino)phenyl]pentanoic acid

4-[4-(propylsulfonylamino)phenyl]pentanoic acid (PubChem CID 115420755) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-[4-(propylsulfonylamino)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-[4-(propylsulfonylamino)phenyl]pentanoic acid
PubChem CID115420755
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-[4-(propylsulfonylamino)phenyl]pentanoic acid
SMILESCCCS(=O)(=O)Nc1ccc(C(C)CCC(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-3-10-20(18,19)15-13-7-5-12(6-8-13)11(2)4-9-14(16)17/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyDIFVNRGGQOJZRJ-UHFFFAOYSA-N
XLogP2.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-butan-2-ylphenyl)sulfamoyl]propanoic acid
CID 43704683
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide
CID 43339119
N-(4-butan-2-ylphenyl)-3-chloropropane-1-sulfonamide
CID 54877159
4-(4-formylphenyl)pentanoic acid
CID 23962618
4-(dimethylsulfamoylamino)-N-(4-pentan-2-ylphenyl)benzamide
CID 13489997
N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
CID 113436723
methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
CID 61460718
3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid
CID 113420004
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927

Frequently Asked Questions

What is the IUPAC name of 4-[4-(propylsulfonylamino)phenyl]pentanoic acid?
The IUPAC name of 4-[4-(propylsulfonylamino)phenyl]pentanoic acid (CID 115420755) is 4-[4-(propylsulfonylamino)phenyl]pentanoic acid.
What is the SMILES notation for 4-[4-(propylsulfonylamino)phenyl]pentanoic acid?
The canonical SMILES for 4-[4-(propylsulfonylamino)phenyl]pentanoic acid is CCCS(=O)(=O)Nc1ccc(C(C)CCC(=O)O)cc1.
What is the InChIKey of 4-[4-(propylsulfonylamino)phenyl]pentanoic acid?
The InChIKey is DIFVNRGGQOJZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-10-20(18,19)15-13-7-5-12(6-8-13)11(2)4-9-14(16)17/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 4-[4-(propylsulfonylamino)phenyl]pentanoic acid?
4-[4-(propylsulfonylamino)phenyl]pentanoic acid has a molecular weight of 299.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(propylsulfonylamino)phenyl]pentanoic acid is sourced from PubChem (CID 115420755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).