2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

C12H20ClFN2O4S — CID 120718040

IUPAC2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCN(C)S(=O)(=O)c1cc(OC)c(OC)cc1F.Cl
InChIInChI=1S/C12H19FN2O4S.ClH/c1-14-5-6-15(2)20(16,17)12-8-11(19-4)10(18-3)7-9(12)13;/h7-8,14H,5-6H2,1-4H3;1H
InChIKeyZGFSXAPRVARJFJ-UHFFFAOYSA-N
MW342.82 g/mol
LogP1.10
Rot. Bonds7

About 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120718040) has the molecular formula C12H20ClFN2O4S and a molecular weight of 342.82 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120718040
Molecular FormulaC12H20ClFN2O4S
Molecular Weight342.82 g/mol
Exact Mass342.08
IUPAC Name2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCN(C)S(=O)(=O)c1cc(OC)c(OC)cc1F.Cl
InChIInChI=1S/C12H19FN2O4S.ClH/c1-14-5-6-15(2)20(16,17)12-8-11(19-4)10(18-3)7-9(12)13;/h7-8,14H,5-6H2,1-4H3;1H
InChIKeyZGFSXAPRVARJFJ-UHFFFAOYSA-N
XLogP1.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 35310374
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide
CID 61234361
3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid
CID 79187649
2-fluoro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 115776375
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 167935434
5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120718077
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 102704614

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120718040) is 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is CNCCN(C)S(=O)(=O)c1cc(OC)c(OC)cc1F.Cl.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is ZGFSXAPRVARJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4S.ClH/c1-14-5-6-15(2)20(16,17)12-8-11(19-4)10(18-3)7-9(12)13;/h7-8,14H,5-6H2,1-4H3;1H.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 342.82 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120718040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).