N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C15H21ClF3N3O3S — CID 120572220

IUPACN-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1NCCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1C.Cl
InChIInChI=1S/C15H20F3N3O3S.ClH/c1-10-11(2)21(7-6-19-10)14(22)9-20-25(23,24)13-5-3-4-12(8-13)15(16,17)18;/h3-5,8,10-11,19-20H,6-7,9H2,1-2H3;1H
InChIKeyWAUHOOIZWDMWDM-UHFFFAOYSA-N
MW415.87 g/mol
LogP1.61
Rot. Bonds4

About N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120572220) has the molecular formula C15H21ClF3N3O3S and a molecular weight of 415.87 g/mol. Its IUPAC name is N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120572220
Molecular FormulaC15H21ClF3N3O3S
Molecular Weight415.87 g/mol
Exact Mass415.09
IUPAC NameN-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1NCCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1C.Cl
InChIInChI=1S/C15H20F3N3O3S.ClH/c1-10-11(2)21(7-6-19-10)14(22)9-20-25(23,24)13-5-3-4-12(8-13)15(16,17)18;/h3-5,8,10-11,19-20H,6-7,9H2,1-2H3;1H
InChIKeyWAUHOOIZWDMWDM-UHFFFAOYSA-N
XLogP1.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120573186
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119413147
N-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 56548815
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120571014
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55339531
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 120571015
1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 120570378
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548903
N-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55329207
N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55407572

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120572220) is N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC1NCCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1C.Cl.
What is the InChIKey of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is WAUHOOIZWDMWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S.ClH/c1-10-11(2)21(7-6-19-10)14(22)9-20-25(23,24)13-5-3-4-12(8-13)15(16,17)18;/h3-5,8,10-11,19-20H,6-7,9H2,1-2H3;1H.
What are the key properties of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 415.87 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120572220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).