N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide

C16H18FNO4S — CID 169373261

IUPACN-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide
SMILESCOC(OC)c1c(F)cccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18FNO4S/c1-11-7-9-12(10-8-11)23(19,20)18-14-6-4-5-13(17)15(14)16(21-2)22-3/h4-10,16,18H,1-3H3
InChIKeyXVIOSXDKKSKHMQ-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide

N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide (PubChem CID 169373261) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide
PubChem CID169373261
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide
SMILESCOC(OC)c1c(F)cccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18FNO4S/c1-11-7-9-12(10-8-11)23(19,20)18-14-6-4-5-13(17)15(14)16(21-2)22-3/h4-10,16,18H,1-3H3
InChIKeyXVIOSXDKKSKHMQ-UHFFFAOYSA-N
XLogP3.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide (CID 169373261) is N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide is COC(OC)c1c(F)cccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide?
The InChIKey is XVIOSXDKKSKHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-11-7-9-12(10-8-11)23(19,20)18-14-6-4-5-13(17)15(14)16(21-2)22-3/h4-10,16,18H,1-3H3.
What are the key properties of N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide?
N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethoxymethyl)-3-fluorophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).