N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide

C12H16F4N2O2S — CID 120664946

IUPACN-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H16F4N2O2S/c1-3-17-8(2)7-18-21(19,20)11-5-4-9(13)6-10(11)12(14,15)16/h4-6,8,17-18H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyAHFFSHXDWJIOPD-MRVPVSSYSA-N
MW328.33 g/mol
LogP2.12
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide

N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 120664946) has the molecular formula C12H16F4N2O2S and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
PubChem CID120664946
Molecular FormulaC12H16F4N2O2S
Molecular Weight328.33 g/mol
Exact Mass328.09
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H16F4N2O2S/c1-3-17-8(2)7-18-21(19,20)11-5-4-9(13)6-10(11)12(14,15)16/h4-6,8,17-18H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyAHFFSHXDWJIOPD-MRVPVSSYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 120720257
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120713889
3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
CID 120713919
N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119983219

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide (CID 120664946) is N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide is CCN[C@H](C)CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AHFFSHXDWJIOPD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16F4N2O2S/c1-3-17-8(2)7-18-21(19,20)11-5-4-9(13)6-10(11)12(14,15)16/h4-6,8,17-18H,3,7H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide?
N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 328.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120664946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).