N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride

C21H25ClF3N3O4S — CID 18571768

IUPACN-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1.Cl
InChIInChI=1S/C21H24F3N3O4S.ClH/c1-31-18-5-7-19(8-6-18)32(29,30)27-13-11-26(12-14-27)10-9-25-20(28)16-3-2-4-17(15-16)21(22,23)24;/h2-8,15H,9-14H2,1H3,(H,25,28);1H
InChIKeyFUFPNTOLJNZSHT-UHFFFAOYSA-N
MW507.96 g/mol
LogP2.87
Rot. Bonds7

About N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride

N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 18571768) has the molecular formula C21H25ClF3N3O4S and a molecular weight of 507.96 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride
PubChem CID18571768
Molecular FormulaC21H25ClF3N3O4S
Molecular Weight507.96 g/mol
Exact Mass507.12
IUPAC NameN-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1.Cl
InChIInChI=1S/C21H24F3N3O4S.ClH/c1-31-18-5-7-19(8-6-18)32(29,30)27-13-11-26(12-14-27)10-9-25-20(28)16-3-2-4-17(15-16)21(22,23)24;/h2-8,15H,9-14H2,1H3,(H,25,28);1H
InChIKeyFUFPNTOLJNZSHT-UHFFFAOYSA-N
XLogP2.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.96
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20933691
3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571748
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 18571746
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 29195438
2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571730
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylbenzamide;hydrochloride
CID 18571726
N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 44896169
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 18571712
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571741
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride (CID 18571768) is N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride is COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1.Cl.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is FUFPNTOLJNZSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4S.ClH/c1-31-18-5-7-19(8-6-18)32(29,30)27-13-11-26(12-14-27)10-9-25-20(28)16-3-2-4-17(15-16)21(22,23)24;/h2-8,15H,9-14H2,1H3,(H,25,28);1H.
What are the key properties of N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride?
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 507.96 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 18571768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).