2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

C12H18Cl2F3N3O2S — CID 119966401

IUPAC2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCN1CCNCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H16F3N3O2S.2ClH/c13-9-7-10(14)12(11(15)8-9)21(19,20)17-3-6-18-4-1-16-2-5-18;;/h7-8,16-17H,1-6H2;2*1H
InChIKeyOMXBROUSZLOXIC-UHFFFAOYSA-N
MW396.26 g/mol
LogP1.13
Rot. Bonds5

About 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (PubChem CID 119966401) has the molecular formula C12H18Cl2F3N3O2S and a molecular weight of 396.26 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
PubChem CID119966401
Molecular FormulaC12H18Cl2F3N3O2S
Molecular Weight396.26 g/mol
Exact Mass395.04
IUPAC Name2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCN1CCNCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H16F3N3O2S.2ClH/c13-9-7-10(14)12(11(15)8-9)21(19,20)17-3-6-18-4-1-16-2-5-18;;/h7-8,16-17H,1-6H2;2*1H
InChIKeyOMXBROUSZLOXIC-UHFFFAOYSA-N
XLogP1.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999799
4-fluoro-2,6-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 120706430
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120874621
2-fluoro-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)benzenesulfonamide;dihydrochloride
CID 119966645
2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide
CID 107487871
2-bromo-4,6-difluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106326852
2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706459
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
3-fluoro-2-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966171
4-(difluoromethoxy)-3-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120874605

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The IUPAC name of 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (CID 119966401) is 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The canonical SMILES for 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is Cl.Cl.O=S(=O)(NCCN1CCNCC1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The InChIKey is OMXBROUSZLOXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S.2ClH/c13-9-7-10(14)12(11(15)8-9)21(19,20)17-3-6-18-4-1-16-2-5-18;;/h7-8,16-17H,1-6H2;2*1H.
What are the key properties of 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride has a molecular weight of 396.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 119966401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).