N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane

C14H23F2NO4S — CID 144848013

IUPACN-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane
SMILESCC.CCCS(=O)(=O)Nc1ccc(F)c(C(OC)OC)c1F
InChIInChI=1S/C12H17F2NO4S.C2H6/c1-4-7-20(16,17)15-9-6-5-8(13)10(11(9)14)12(18-2)19-3;1-2/h5-6,12,15H,4,7H2,1-3H3;1-2H3
InChIKeyIEJAXHRJGZXZHM-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.43
Rot. Bonds7

About N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane

N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane (PubChem CID 144848013) has the molecular formula C14H23F2NO4S and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane.

Molecular Properties

Compound NameN-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane
PubChem CID144848013
Molecular FormulaC14H23F2NO4S
Molecular Weight339.40 g/mol
Exact Mass339.13
IUPAC NameN-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane
SMILESCC.CCCS(=O)(=O)Nc1ccc(F)c(C(OC)OC)c1F
InChIInChI=1S/C12H17F2NO4S.C2H6/c1-4-7-20(16,17)15-9-6-5-8(13)10(11(9)14)12(18-2)19-3;1-2/h5-6,12,15H,4,7H2,1-3H3;1-2H3
InChIKeyIEJAXHRJGZXZHM-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.43
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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Related Compounds

3-(Dimethoxymethyl)aniline
CID 232571
N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 601167
Propane-1-sulfonic acid (2-fluoro-3-hydroxymethyl-phenyl)-amide
CID 58087499
Propane-1 sulfonic acid (4 fluoro-3-hydroxymethyl-phenyl)-amide
CID 58087735
(R)-N-(2-Fluoro-5-(oxiran-2-yl)phenyl)methanesulfonamide
CID 59370772
N-[2,4-Difluoro-3-(hydroxymethyl)phenyl]-1-propanesulfonamide
CID 59418478
N-[3-(dimethoxymethyl)-4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 70040237
Butyl 2,6-difluoro-3-(propylsulfonylamino)benzoate
CID 70315598
N-[2-fluoro-5-(oxiran-2-yl)phenyl]methanesulfonamide
CID 72272787
[1-[2,4-Difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate
CID 87106316
(3-Amino-4-fluorophenyl)methyl methanesulfonate
CID 88274144
N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 118095408

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane?
The IUPAC name of N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane (CID 144848013) is N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane.
What is the SMILES notation for N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane?
The canonical SMILES for N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane is CC.CCCS(=O)(=O)Nc1ccc(F)c(C(OC)OC)c1F.
What is the InChIKey of N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane?
The InChIKey is IEJAXHRJGZXZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO4S.C2H6/c1-4-7-20(16,17)15-9-6-5-8(13)10(11(9)14)12(18-2)19-3;1-2/h5-6,12,15H,4,7H2,1-3H3;1-2H3.
What are the key properties of N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane?
N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane has a molecular weight of 339.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethoxymethyl)-2,4-difluorophenyl]propane-1-sulfonamide;ethane is sourced from PubChem (CID 144848013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).