N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride

C11H18ClFN2O2S — CID 120708897

IUPACN-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1c(C)cccc1F.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-3-13-7-8-14-17(15,16)11-9(2)5-4-6-10(11)12;/h4-6,13-14H,3,7-8H2,1-2H3;1H
InChIKeyCRNMKNXAKVODEQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.44
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride (PubChem CID 120708897) has the molecular formula C11H18ClFN2O2S and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride
PubChem CID120708897
Molecular FormulaC11H18ClFN2O2S
Molecular Weight296.80 g/mol
Exact Mass296.08
IUPAC NameN-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1c(C)cccc1F.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-3-13-7-8-14-17(15,16)11-9(2)5-4-6-10(11)12;/h4-6,13-14H,3,7-8H2,1-2H3;1H
InChIKeyCRNMKNXAKVODEQ-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.44
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

2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708760
N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119973457
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706459
2-methyl-6-nitro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716089
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride (CID 120708897) is N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1c(C)cccc1F.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride?
The InChIKey is CRNMKNXAKVODEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S.ClH/c1-3-13-7-8-14-17(15,16)11-9(2)5-4-6-10(11)12;/h4-6,13-14H,3,7-8H2,1-2H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120708897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).