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

C12H16FNO4S — CID 3843146

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)c2cccc(F)c2)O1
InChIInChI=1S/C12H16FNO4S/c1-12(2)17-8-10(18-12)7-14-19(15,16)11-5-3-4-9(13)6-11/h3-6,10,14H,7-8H2,1-2H3
InChIKeyBUADRBJFUDFUGC-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.26
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 3843146) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide
PubChem CID3843146
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)c2cccc(F)c2)O1
InChIInChI=1S/C12H16FNO4S/c1-12(2)17-8-10(18-12)7-14-19(15,16)11-5-3-4-9(13)6-11/h3-6,10,14H,7-8H2,1-2H3
InChIKeyBUADRBJFUDFUGC-UHFFFAOYSA-N
XLogP1.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.26
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]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide (CID 3843146) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide is CC1(C)OCC(CNS(=O)(=O)c2cccc(F)c2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is BUADRBJFUDFUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-12(2)17-8-10(18-12)7-14-19(15,16)11-5-3-4-9(13)6-11/h3-6,10,14H,7-8H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 289.33 g/mol, XLogP of 1.26, 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]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 3843146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).