2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

C10H14ClF3N2O2S — CID 120825089

IUPAC2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1c(F)cc(F)cc1F.Cl
InChIInChI=1S/C10H13F3N2O2S.ClH/c1-6(14-2)5-15-18(16,17)10-8(12)3-7(11)4-9(10)13;/h3-4,6,14-15H,5H2,1-2H3;1H
InChIKeyVWSOFLAVLKAEGA-UHFFFAOYSA-N
MW318.75 g/mol
LogP1.41
Rot. Bonds5

About 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120825089) has the molecular formula C10H14ClF3N2O2S and a molecular weight of 318.75 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120825089
Molecular FormulaC10H14ClF3N2O2S
Molecular Weight318.75 g/mol
Exact Mass318.04
IUPAC Name2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1c(F)cc(F)cc1F.Cl
InChIInChI=1S/C10H13F3N2O2S.ClH/c1-6(14-2)5-15-18(16,17)10-8(12)3-7(11)4-9(10)13;/h3-4,6,14-15H,5H2,1-2H3;1H
InChIKeyVWSOFLAVLKAEGA-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
N-(4-bromo-2-methylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 113271251
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide
CID 66175412
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
4-bromo-5-fluoro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825030
2,4,6-trifluoro-N-propylbenzenesulfonamide
CID 60971458
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120825089) is 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1c(F)cc(F)cc1F.Cl.
What is the InChIKey of 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is VWSOFLAVLKAEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S.ClH/c1-6(14-2)5-15-18(16,17)10-8(12)3-7(11)4-9(10)13;/h3-4,6,14-15H,5H2,1-2H3;1H.
What are the key properties of 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 318.75 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120825089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).