N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride

C11H18ClFN2O2S — CID 119973457

IUPACN-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1cccc(F)c1C.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-3-13-7-8-14-17(15,16)11-6-4-5-10(12)9(11)2;/h4-6,13-14H,3,7-8H2,1-2H3;1H
InChIKeyAHJQIAPPPUTXKO-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.44
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 119973457) has the molecular formula C11H18ClFN2O2S and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
PubChem CID119973457
Molecular FormulaC11H18ClFN2O2S
Molecular Weight296.80 g/mol
Exact Mass296.08
IUPAC NameN-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1cccc(F)c1C.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-3-13-7-8-14-17(15,16)11-6-4-5-10(12)9(11)2;/h4-6,13-14H,3,7-8H2,1-2H3;1H
InChIKeyAHJQIAPPPUTXKO-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

N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride
CID 120708897
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
N-[(3S)-3-aminobutyl]-3-fluoro-2-methylbenzenesulfonamide
CID 99819169
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 120708847
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716139
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
2,3-dimethyl-N-propylbenzenesulfonamide
CID 67800223
N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119973462
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride (CID 119973457) is N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1cccc(F)c1C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is AHJQIAPPPUTXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S.ClH/c1-3-13-7-8-14-17(15,16)11-6-4-5-10(12)9(11)2;/h4-6,13-14H,3,7-8H2,1-2H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-fluoro-2-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]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).