[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate

C19H21ClN2O5S — CID 46790148

IUPAC[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-12(2)22-28(25,26)15-10-8-14(9-11-15)21-18(23)13(3)27-19(24)16-6-4-5-7-17(16)20/h4-13,22H,1-3H3,(H,21,23)
InChIKeyKLLWOXAQMGBYOV-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.21
Rot. Bonds7

About [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate

[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate (PubChem CID 46790148) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate
PubChem CID46790148
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-12(2)22-28(25,26)15-10-8-14(9-11-15)21-18(23)13(3)27-19(24)16-6-4-5-7-17(16)20/h4-13,22H,1-3H3,(H,21,23)
InChIKeyKLLWOXAQMGBYOV-UHFFFAOYSA-N
XLogP3.21
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-methoxybenzoate
CID 7811706
(2R)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816091
(2S)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816093
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 43026775
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2,4,5-trimethoxybenzoate
CID 55316137
2-chloro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4924612
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-fluorobenzoate
CID 24686418
[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 7863711
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-methylthiophene-2-carboxylate
CID 55318696
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 7722742
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 1-benzothiophene-2-carboxylate
CID 43030538
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 8020238

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate?
The IUPAC name of [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate (CID 46790148) is [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate.
What is the SMILES notation for [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate?
The canonical SMILES for [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate is CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate?
The InChIKey is KLLWOXAQMGBYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-12(2)22-28(25,26)15-10-8-14(9-11-15)21-18(23)13(3)27-19(24)16-6-4-5-7-17(16)20/h4-13,22H,1-3H3,(H,21,23).
What are the key properties of [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate?
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate has a molecular weight of 424.91 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate is sourced from PubChem (CID 46790148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).