N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide

C12H15F2NO4S — CID 3670736

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)c2c(F)cccc2F)O1
InChIInChI=1S/C12H15F2NO4S/c1-12(2)18-7-8(19-12)6-15-20(16,17)11-9(13)4-3-5-10(11)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyRHJUPZGTESOEQM-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.39
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide (PubChem CID 3670736) has the molecular formula C12H15F2NO4S and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide
PubChem CID3670736
Molecular FormulaC12H15F2NO4S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)c2c(F)cccc2F)O1
InChIInChI=1S/C12H15F2NO4S/c1-12(2)18-7-8(19-12)6-15-20(16,17)11-9(13)4-3-5-10(11)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyRHJUPZGTESOEQM-UHFFFAOYSA-N
XLogP1.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide (CID 3670736) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide is CC1(C)OCC(CNS(=O)(=O)c2c(F)cccc2F)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is RHJUPZGTESOEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S/c1-12(2)18-7-8(19-12)6-15-20(16,17)11-9(13)4-3-5-10(11)14/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 307.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 3670736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).