[(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate

C15H20Cl2N2O5S — CID 7806984

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate
SMILESCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O[C@H](C)C(N)=O)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O5S/c1-4-5-8(2)19-25(22,23)13-6-10(11(16)7-12(13)17)15(21)24-9(3)14(18)20/h6-9,19H,4-5H2,1-3H3,(H2,18,20)/t8-,9+/m0/s1
InChIKeyFPJDFEFQPUWLGZ-DTWKUNHWSA-N
MW411.31 g/mol
LogP2.49
Rot. Bonds8

About [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate

[(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate (PubChem CID 7806984) has the molecular formula C15H20Cl2N2O5S and a molecular weight of 411.31 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate
PubChem CID7806984
Molecular FormulaC15H20Cl2N2O5S
Molecular Weight411.31 g/mol
Exact Mass410.05
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate
SMILESCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O[C@H](C)C(N)=O)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O5S/c1-4-5-8(2)19-25(22,23)13-6-10(11(16)7-12(13)17)15(21)24-9(3)14(18)20/h6-9,19H,4-5H2,1-3H3,(H2,18,20)/t8-,9+/m0/s1
InChIKeyFPJDFEFQPUWLGZ-DTWKUNHWSA-N
XLogP2.49
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate with MolForge

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Related Compounds

2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 9179630
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 43081929
(1-amino-1-oxopropan-2-yl) 2-chloro-5-sulfamoylbenzoate
CID 22108582
2,4-dichloro-5-(hex-1-yn-3-ylsulfamoyl)benzoic acid
CID 106224222
methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508328
decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate
CID 59912480
[2-oxo-2-(pentan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4566884
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate (CID 7806984) is [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate is CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O[C@H](C)C(N)=O)c(Cl)cc1Cl.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate?
The InChIKey is FPJDFEFQPUWLGZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C15H20Cl2N2O5S/c1-4-5-8(2)19-25(22,23)13-6-10(11(16)7-12(13)17)15(21)24-9(3)14(18)20/h6-9,19H,4-5H2,1-3H3,(H2,18,20)/t8-,9+/m0/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate?
[(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate has a molecular weight of 411.31 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate is sourced from PubChem (CID 7806984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).