2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid

C14H18Cl2N2O5S — CID 122072108

IUPAC2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1
InChIInChI=1S/C14H18Cl2N2O5S/c1-17(9-14(19)20)7-11-8-18(4-5-23-11)24(21,22)13-3-2-10(15)6-12(13)16/h2-3,6,11H,4-5,7-9H2,1H3,(H,19,20)
InChIKeyKNWIIGILECGZLQ-UHFFFAOYSA-N
MW397.28 g/mol
LogP1.40
Rot. Bonds6

About 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122072108) has the molecular formula C14H18Cl2N2O5S and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122072108
Molecular FormulaC14H18Cl2N2O5S
Molecular Weight397.28 g/mol
Exact Mass396.03
IUPAC Name2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1
InChIInChI=1S/C14H18Cl2N2O5S/c1-17(9-14(19)20)7-11-8-18(4-5-23-11)24(21,22)13-3-2-10(15)6-12(13)16/h2-3,6,11H,4-5,7-9H2,1H3,(H,19,20)
InChIKeyKNWIIGILECGZLQ-UHFFFAOYSA-N
XLogP1.40
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072081
2-[[4-(4-tert-butylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072069
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606962
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651
2-[[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606697
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710540
2-[[4-[3-(2,6-dichlorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043689
3-(2-ethylmorpholin-4-yl)sulfonyl-4-fluorobenzoic acid
CID 43421826

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid (CID 122072108) is 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1.
What is the InChIKey of 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is KNWIIGILECGZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O5S/c1-17(9-14(19)20)7-11-8-18(4-5-23-11)24(21,22)13-3-2-10(15)6-12(13)16/h2-3,6,11H,4-5,7-9H2,1H3,(H,19,20).
What are the key properties of 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 397.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122072108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).