methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate

C13H17ClN2O5S — CID 25484227

IUPACmethyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H17ClN2O5S/c1-8(13(18)21-4)15-12(17)9-5-6-10(14)11(7-9)22(19,20)16(2)3/h5-8H,1-4H3,(H,15,17)/t8-/m1/s1
InChIKeyXAPOREAPCHPEGO-MRVPVSSYSA-N
MW348.81 g/mol
LogP0.88
Rot. Bonds5

About methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate

methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate (PubChem CID 25484227) has the molecular formula C13H17ClN2O5S and a molecular weight of 348.81 g/mol. Its IUPAC name is methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
PubChem CID25484227
Molecular FormulaC13H17ClN2O5S
Molecular Weight348.81 g/mol
Exact Mass348.05
IUPAC Namemethyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H17ClN2O5S/c1-8(13(18)21-4)15-12(17)9-5-6-10(14)11(7-9)22(19,20)16(2)3/h5-8H,1-4H3,(H,15,17)/t8-/m1/s1
InChIKeyXAPOREAPCHPEGO-MRVPVSSYSA-N
XLogP0.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]propanoate
CID 60638166
4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide
CID 25488003
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568374
4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 24600801
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
propan-2-yl 3-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516750
methyl (2R)-2-[[4-chloro-3-[methyl(phenyl)sulfamoyl]benzoyl]amino]-4-methylpentanoate
CID 25437819
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 55389871

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate (CID 25484227) is methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate?
The InChIKey is XAPOREAPCHPEGO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17ClN2O5S/c1-8(13(18)21-4)15-12(17)9-5-6-10(14)11(7-9)22(19,20)16(2)3/h5-8H,1-4H3,(H,15,17)/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate?
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate has a molecular weight of 348.81 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate is sourced from PubChem (CID 25484227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).