(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate

C16H15ClN2O5S — CID 42900642

IUPAC(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
SMILESCC(OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C16H15ClN2O5S/c1-10(15(18)20)24-16(21)13-4-2-3-5-14(13)19-25(22,23)12-8-6-11(17)7-9-12/h2-10,19H,1H3,(H2,18,20)
InChIKeyXORFYXUDTSKGQR-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.17
Rot. Bonds6

About (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate

(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate (PubChem CID 42900642) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
PubChem CID42900642
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
SMILESCC(OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C16H15ClN2O5S/c1-10(15(18)20)24-16(21)13-4-2-3-5-14(13)19-25(22,23)12-8-6-11(17)7-9-12/h2-10,19H,1H3,(H2,18,20)
InChIKeyXORFYXUDTSKGQR-UHFFFAOYSA-N
XLogP2.17
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 7744842
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 7744895
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 16521702
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55316027
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2455378

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate (CID 42900642) is (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate is CC(OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate?
The InChIKey is XORFYXUDTSKGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-10(15(18)20)24-16(21)13-4-2-3-5-14(13)19-25(22,23)12-8-6-11(17)7-9-12/h2-10,19H,1H3,(H2,18,20).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate?
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate has a molecular weight of 382.83 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 42900642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).