2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

C10H16ClFN2O2S — CID 120708760

IUPAC2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1c(C)cccc1F.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-8-4-3-5-9(11)10(8)16(14,15)13-7-6-12-2;/h3-5,12-13H,6-7H2,1-2H3;1H
InChIKeyUOKLMBXCNSCEBF-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.05
Rot. Bonds5

About 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120708760) has the molecular formula C10H16ClFN2O2S and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120708760
Molecular FormulaC10H16ClFN2O2S
Molecular Weight282.77 g/mol
Exact Mass282.06
IUPAC Name2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1c(C)cccc1F.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-8-4-3-5-9(11)10(8)16(14,15)13-7-6-12-2;/h3-5,12-13H,6-7H2,1-2H3;1H
InChIKeyUOKLMBXCNSCEBF-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride
CID 120708897
2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706459
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973128
N-(3-aminopropyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 119962275
N-(2-amino-2-methylpropyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119987957
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
2-methyl-6-nitro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716089
2-chloro-N-[2-(methylamino)ethyl]-6-nitrobenzenesulfonamide
CID 119973074

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120708760) is 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is CNCCNS(=O)(=O)c1c(C)cccc1F.Cl.
What is the InChIKey of 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is UOKLMBXCNSCEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S.ClH/c1-8-4-3-5-9(11)10(8)16(14,15)13-7-6-12-2;/h3-5,12-13H,6-7H2,1-2H3;1H.
What are the key properties of 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120708760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).