1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid

C15H19ClN2O5S — CID 119176050

IUPAC1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H19ClN2O5S/c1-10(14(19)18-9-3-2-4-13(18)15(20)21)17-24(22,23)12-7-5-11(16)6-8-12/h5-8,10,13,17H,2-4,9H2,1H3,(H,20,21)
InChIKeyYGESGTBUSITLJU-UHFFFAOYSA-N
MW374.85 g/mol
LogP1.47
Rot. Bonds5

About 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid

1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid (PubChem CID 119176050) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
PubChem CID119176050
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Name1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H19ClN2O5S/c1-10(14(19)18-9-3-2-4-13(18)15(20)21)17-24(22,23)12-7-5-11(16)6-8-12/h5-8,10,13,17H,2-4,9H2,1H3,(H,20,21)
InChIKeyYGESGTBUSITLJU-UHFFFAOYSA-N
XLogP1.47
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-chloro-N-[(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 56511808
4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119471892
1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239854
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CID 66262701
(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 97323918
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119519000
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
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(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369
(2S)-1-[(2S)-2-(benzenesulfonamido)-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 70359381
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid (CID 119176050) is 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid?
The InChIKey is YGESGTBUSITLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c1-10(14(19)18-9-3-2-4-13(18)15(20)21)17-24(22,23)12-7-5-11(16)6-8-12/h5-8,10,13,17H,2-4,9H2,1H3,(H,20,21).
What are the key properties of 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid?
1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid has a molecular weight of 374.85 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).