(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate

C15H21NO6S — CID 4875281

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC2COC(C)(C)O2)cc1
InChIInChI=1S/C15H21NO6S/c1-15(2)21-10-12(22-15)9-20-14(17)11-5-7-13(8-6-11)23(18,19)16(3)4/h5-8,12H,9-10H2,1-4H3
InChIKeyKOACKCSHRIYZMF-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.25
Rot. Bonds5

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 4875281) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate
PubChem CID4875281
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC2COC(C)(C)O2)cc1
InChIInChI=1S/C15H21NO6S/c1-15(2)21-10-12(22-15)9-20-14(17)11-5-7-13(8-6-11)23(18,19)16(3)4/h5-8,12H,9-10H2,1-4H3
InChIKeyKOACKCSHRIYZMF-UHFFFAOYSA-N
XLogP1.25
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate (CID 4875281) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCC2COC(C)(C)O2)cc1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is KOACKCSHRIYZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-15(2)21-10-12(22-15)9-20-14(17)11-5-7-13(8-6-11)23(18,19)16(3)4/h5-8,12H,9-10H2,1-4H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 343.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 4875281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).