(2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate

C19H19NO6S — CID 42899889

IUPAC(2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OC3CCOC3=O)cc2)cc1
InChIInChI=1S/C19H19NO6S/c1-13-3-9-16(10-4-13)27(23,24)20(2)15-7-5-14(6-8-15)18(21)26-17-11-12-25-19(17)22/h3-10,17H,11-12H2,1-2H3
InChIKeySORRHRGIHUNUGC-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.29
Rot. Bonds5

About (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate

(2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 42899889) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
PubChem CID42899889
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name(2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OC3CCOC3=O)cc2)cc1
InChIInChI=1S/C19H19NO6S/c1-13-3-9-16(10-4-13)27(23,24)20(2)15-7-5-14(6-8-15)18(21)26-17-11-12-25-19(17)22/h3-10,17H,11-12H2,1-2H3
InChIKeySORRHRGIHUNUGC-UHFFFAOYSA-N
XLogP2.29
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)benzoate
CID 8763209
[(1S)-2-oxocyclohexyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273491
[(1R)-2-oxocyclohexyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2086538
[(1S)-2-oxocyclohexyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2086537
[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate
CID 2380151
[(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate
CID 51928625
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
CID 2122814
[4-[benzenesulfonyl(methyl)amino]phenyl] 4-methylbenzoate
CID 71904345
methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
CID 37417742
[(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 8819135
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 989154

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate (CID 42899889) is (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OC3CCOC3=O)cc2)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is SORRHRGIHUNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-13-3-9-16(10-4-13)27(23,24)20(2)15-7-5-14(6-8-15)18(21)26-17-11-12-25-19(17)22/h3-10,17H,11-12H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate?
(2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 389.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 42899889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).