1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride

C11H15ClF3N3O2S — CID 70106719

IUPAC1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccccc1N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H14F3N3O2S.ClH/c12-11(13,14)20(18,19)16-9-3-1-2-4-10(9)17-7-5-15-6-8-17;/h1-4,15-16H,5-8H2;1H
InChIKeyXCGFAOQUWRNMRV-UHFFFAOYSA-N
MW345.77 g/mol
LogP1.78
Rot. Bonds3

About 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride

1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride (PubChem CID 70106719) has the molecular formula C11H15ClF3N3O2S and a molecular weight of 345.77 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride
PubChem CID70106719
Molecular FormulaC11H15ClF3N3O2S
Molecular Weight345.77 g/mol
Exact Mass345.05
IUPAC Name1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccccc1N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H14F3N3O2S.ClH/c12-11(13,14)20(18,19)16-9-3-1-2-4-10(9)17-7-5-15-6-8-17;/h1-4,15-16H,5-8H2;1H
InChIKeyXCGFAOQUWRNMRV-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-[3-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]piperazine
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1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-[2-(trifluoromethylsulfanyl)phenyl]piperazine
CID 83325862
2-(1,4-diazepan-1-yl)benzenesulfonic acid
CID 86209666
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
(2-piperazin-1-ylphenyl)methanamine;hydrochloride
CID 174363608
1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate
CID 59648075
1-(2-chlorophenyl)piperazine
CID 162116490
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride (CID 70106719) is 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccccc1N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride?
The InChIKey is XCGFAOQUWRNMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S.ClH/c12-11(13,14)20(18,19)16-9-3-1-2-4-10(9)17-7-5-15-6-8-17;/h1-4,15-16H,5-8H2;1H.
What are the key properties of 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride?
1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride has a molecular weight of 345.77 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 70106719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).