(2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate

C18H15Cl2NO6S — CID 3997815

IUPAC(2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)OC3CCOC3=O)c(Cl)cc2Cl)c1
InChIInChI=1S/C18H15Cl2NO6S/c1-10-3-2-4-11(7-10)21-28(24,25)16-8-12(13(19)9-14(16)20)17(22)27-15-5-6-26-18(15)23/h2-4,7-9,15,21H,5-6H2,1H3
InChIKeyIGWYJJVSDSOVED-UHFFFAOYSA-N
MW444.29 g/mol
LogP3.57
Rot. Bonds5

About (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate

(2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate (PubChem CID 3997815) has the molecular formula C18H15Cl2NO6S and a molecular weight of 444.29 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate
PubChem CID3997815
Molecular FormulaC18H15Cl2NO6S
Molecular Weight444.29 g/mol
Exact Mass443.00
IUPAC Name(2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)OC3CCOC3=O)c(Cl)cc2Cl)c1
InChIInChI=1S/C18H15Cl2NO6S/c1-10-3-2-4-11(7-10)21-28(24,25)16-8-12(13(19)9-14(16)20)17(22)27-15-5-6-26-18(15)23/h2-4,7-9,15,21H,5-6H2,1H3
InChIKeyIGWYJJVSDSOVED-UHFFFAOYSA-N
XLogP3.57
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 2646121
[(3R)-2-oxooxolan-3-yl] 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 2463256
(2-oxooxolan-3-yl) 2-amino-5-methylbenzoate
CID 60768740
methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate
CID 60621327
[(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728569
2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide
CID 78782572
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 99978032
4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 133165148
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate (CID 3997815) is (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate is Cc1cccc(NS(=O)(=O)c2cc(C(=O)OC3CCOC3=O)c(Cl)cc2Cl)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate?
The InChIKey is IGWYJJVSDSOVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO6S/c1-10-3-2-4-11(7-10)21-28(24,25)16-8-12(13(19)9-14(16)20)17(22)27-15-5-6-26-18(15)23/h2-4,7-9,15,21H,5-6H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate?
(2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate has a molecular weight of 444.29 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2,4-dichloro-5-[(3-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 3997815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).