1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid

C14H16Cl2N2O5S — CID 139889249

IUPAC1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O5S/c15-10-2-1-3-11(13(10)16)24(22,23)17-8-12(19)18-6-4-9(5-7-18)14(20)21/h1-3,9,17H,4-8H2,(H,20,21)
InChIKeyBMWRWHKDGKZTKN-UHFFFAOYSA-N
MW395.26 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 139889249) has the molecular formula C14H16Cl2N2O5S and a molecular weight of 395.26 g/mol. Its IUPAC name is 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID139889249
Molecular FormulaC14H16Cl2N2O5S
Molecular Weight395.26 g/mol
Exact Mass394.02
IUPAC Name1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O5S/c15-10-2-1-3-11(13(10)16)24(22,23)17-8-12(19)18-6-4-9(5-7-18)14(20)21/h1-3,9,17H,4-8H2,(H,20,21)
InChIKeyBMWRWHKDGKZTKN-UHFFFAOYSA-N
XLogP1.59
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
2-chloro-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 27375956
1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid
CID 103232277
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994676
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide
CID 9082260
2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592587
N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-chlorobenzenesulfonamide
CID 55408215
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid (CID 139889249) is 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is BMWRWHKDGKZTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O5S/c15-10-2-1-3-11(13(10)16)24(22,23)17-8-12(19)18-6-4-9(5-7-18)14(20)21/h1-3,9,17H,4-8H2,(H,20,21).
What are the key properties of 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 395.26 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 139889249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).