N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide

C12H17F3N2O2S — CID 120824445

IUPACN-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O2S/c1-9(16-2)8-17-20(18,19)11-5-3-10(4-6-11)7-12(13,14)15/h3-6,9,16-17H,7-8H2,1-2H3
InChIKeyLBJKVQHSIHIESX-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.68
Rot. Bonds6

About N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide

N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 120824445) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID120824445
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC NameN-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O2S/c1-9(16-2)8-17-20(18,19)11-5-3-10(4-6-11)7-12(13,14)15/h3-6,9,16-17H,7-8H2,1-2H3
InChIKeyLBJKVQHSIHIESX-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120824647
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726402
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824764
N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712963

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 120824445) is N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is LBJKVQHSIHIESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-9(16-2)8-17-20(18,19)11-5-3-10(4-6-11)7-12(13,14)15/h3-6,9,16-17H,7-8H2,1-2H3.
What are the key properties of N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 310.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 120824445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).