N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

C13H19ClF4N2O2S — CID 45265632

IUPACN-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCN(CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C13H18F4N2O2S.ClH/c1-3-19(4-2)8-7-18-22(20,21)12-9-10(13(15,16)17)5-6-11(12)14;/h5-6,9,18H,3-4,7-8H2,1-2H3;1H
InChIKeyDZJJKHRNEFRUBX-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.89
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 45265632) has the molecular formula C13H19ClF4N2O2S and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID45265632
Molecular FormulaC13H19ClF4N2O2S
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC NameN-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCN(CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C13H18F4N2O2S.ClH/c1-3-19(4-2)8-7-18-22(20,21)12-9-10(13(15,16)17)5-6-11(12)14;/h5-6,9,18H,3-4,7-8H2,1-2H3;1H
InChIKeyDZJJKHRNEFRUBX-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 45265632) is N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is CCN(CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is DZJJKHRNEFRUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2O2S.ClH/c1-3-19(4-2)8-7-18-22(20,21)12-9-10(13(15,16)17)5-6-11(12)14;/h5-6,9,18H,3-4,7-8H2,1-2H3;1H.
What are the key properties of N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 45265632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).