5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

C12H20ClFN2O4S — CID 120708720

IUPAC5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1cc(F)ccc1OCCOC.Cl
InChIInChI=1S/C12H19FN2O4S.ClH/c1-14-5-6-15-20(16,17)12-9-10(13)3-4-11(12)19-8-7-18-2;/h3-4,9,14-15H,5-8H2,1-2H3;1H
InChIKeyPVBTYVDDCBSWKE-UHFFFAOYSA-N
MW342.82 g/mol
LogP0.77
Rot. Bonds9

About 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120708720) has the molecular formula C12H20ClFN2O4S and a molecular weight of 342.82 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120708720
Molecular FormulaC12H20ClFN2O4S
Molecular Weight342.82 g/mol
Exact Mass342.08
IUPAC Name5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1cc(F)ccc1OCCOC.Cl
InChIInChI=1S/C12H19FN2O4S.ClH/c1-14-5-6-15-20(16,17)12-9-10(13)3-4-11(12)19-8-7-18-2;/h3-4,9,14-15H,5-8H2,1-2H3;1H
InChIKeyPVBTYVDDCBSWKE-UHFFFAOYSA-N
XLogP0.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 120713286
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973114
5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896300
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide
CID 120707764
methyl 4-fluoro-2-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119965118
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725128

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120708720) is 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is CNCCNS(=O)(=O)c1cc(F)ccc1OCCOC.Cl.
What is the InChIKey of 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is PVBTYVDDCBSWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4S.ClH/c1-14-5-6-15-20(16,17)12-9-10(13)3-4-11(12)19-8-7-18-2;/h3-4,9,14-15H,5-8H2,1-2H3;1H.
What are the key properties of 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 342.82 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120708720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).