methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate

C11H13Cl2NO4S — CID 7378362

IUPACmethyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
SMILESCOC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H13Cl2NO4S/c1-7(11(15)18-2)14(19(3,16)17)10-6-8(12)4-5-9(10)13/h4-7H,1-3H3/t7-/m1/s1
InChIKeyAGKUYGLEXZUULE-SSDOTTSWSA-N
MW326.20 g/mol
LogP2.32
Rot. Bonds4

About methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate

methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate (PubChem CID 7378362) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
PubChem CID7378362
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Namemethyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
SMILESCOC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H13Cl2NO4S/c1-7(11(15)18-2)14(19(3,16)17)10-6-8(12)4-5-9(10)13/h4-7H,1-3H3/t7-/m1/s1
InChIKeyAGKUYGLEXZUULE-SSDOTTSWSA-N
XLogP2.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 124561236
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
ethyl 2-chloro-5-[[(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 93486799
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]propanamide
CID 8991613
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 8991594
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823143
(2S)-N-(3-bromophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 42554746
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate?
The IUPAC name of methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate (CID 7378362) is methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate.
What is the SMILES notation for methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate?
The canonical SMILES for methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate is COC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate?
The InChIKey is AGKUYGLEXZUULE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-7(11(15)18-2)14(19(3,16)17)10-6-8(12)4-5-9(10)13/h4-7H,1-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate?
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate has a molecular weight of 326.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate is sourced from PubChem (CID 7378362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).