4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid

C14H17ClN2O6S — CID 119238890

IUPAC4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid
SMILESCN(CC(=O)N1CCOC(C(=O)O)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O6S/c1-16(24(21,22)11-4-2-10(15)3-5-11)9-13(18)17-6-7-23-12(8-17)14(19)20/h2-5,12H,6-9H2,1H3,(H,19,20)
InChIKeyHVEUNHZXSAOKLV-UHFFFAOYSA-N
MW376.82 g/mol
LogP0.27
Rot. Bonds5

About 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid

4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid (PubChem CID 119238890) has the molecular formula C14H17ClN2O6S and a molecular weight of 376.82 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid
PubChem CID119238890
Molecular FormulaC14H17ClN2O6S
Molecular Weight376.82 g/mol
Exact Mass376.05
IUPAC Name4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid
SMILESCN(CC(=O)N1CCOC(C(=O)O)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O6S/c1-16(24(21,22)11-4-2-10(15)3-5-11)9-13(18)17-6-7-23-12(8-17)14(19)20/h2-5,12H,6-9H2,1H3,(H,19,20)
InChIKeyHVEUNHZXSAOKLV-UHFFFAOYSA-N
XLogP0.27
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952806
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119378427
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119484347
ethyl (3S)-1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]piperidine-3-carboxylate
CID 2485823
1-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354063
1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256267
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 6963153
4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 119645347
4-chloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 26797077
4-[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 119238963
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide
CID 3826695

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid (CID 119238890) is 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid is CN(CC(=O)N1CCOC(C(=O)O)C1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid?
The InChIKey is HVEUNHZXSAOKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O6S/c1-16(24(21,22)11-4-2-10(15)3-5-11)9-13(18)17-6-7-23-12(8-17)14(19)20/h2-5,12H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid?
4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid has a molecular weight of 376.82 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119238890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).