3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid

C14H19NO4S — CID 105360943

IUPAC3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C14H19NO4S/c16-14(17)10-7-11-5-8-12(9-6-11)15-20(18,19)13-3-1-2-4-13/h5-6,8-9,13,15H,1-4,7,10H2,(H,16,17)
InChIKeyJQSQODFEDBMBNI-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.39
Rot. Bonds6

About 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid

3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid (PubChem CID 105360943) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid
PubChem CID105360943
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C14H19NO4S/c16-14(17)10-7-11-5-8-12(9-6-11)15-20(18,19)13-3-1-2-4-13/h5-6,8-9,13,15H,1-4,7,10H2,(H,16,17)
InChIKeyJQSQODFEDBMBNI-UHFFFAOYSA-N
XLogP2.39
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(sulfamoylamino)phenyl]propanoic acid
CID 114959005
3-[4-(pyrrolidin-1-ylsulfonylamino)phenyl]propanoic acid
CID 115339542
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide
CID 106911163
2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 105361608
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide
CID 110311233
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594
N-[4-(methylamino)phenyl]cyclohexanesulfonamide
CID 61064598
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-(4-formylphenyl)cyclopentanesulfonamide
CID 106912880
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid (CID 105360943) is 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid is O=C(O)CCc1ccc(NS(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid?
The InChIKey is JQSQODFEDBMBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(17)10-7-11-5-8-12(9-6-11)15-20(18,19)13-3-1-2-4-13/h5-6,8-9,13,15H,1-4,7,10H2,(H,16,17).
What are the key properties of 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid?
3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid has a molecular weight of 297.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid is sourced from PubChem (CID 105360943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).