2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride

C20H24ClF2N3O3S — CID 18571824

IUPAC2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3c(F)cccc3F)CC2)cc1.Cl
InChIInChI=1S/C20H23F2N3O3S.ClH/c1-15-5-7-16(8-6-15)29(27,28)25-13-11-24(12-14-25)10-9-23-20(26)19-17(21)3-2-4-18(19)22;/h2-8H,9-14H2,1H3,(H,23,26);1H
InChIKeyJGAULFCDNMCWSV-UHFFFAOYSA-N
MW459.95 g/mol
LogP2.43
Rot. Bonds6

About 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride

2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 18571824) has the molecular formula C20H24ClF2N3O3S and a molecular weight of 459.95 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
PubChem CID18571824
Molecular FormulaC20H24ClF2N3O3S
Molecular Weight459.95 g/mol
Exact Mass459.12
IUPAC Name2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3c(F)cccc3F)CC2)cc1.Cl
InChIInChI=1S/C20H23F2N3O3S.ClH/c1-15-5-7-16(8-6-15)29(27,28)25-13-11-24(12-14-25)10-9-23-20(26)19-17(21)3-2-4-18(19)22;/h2-8H,9-14H2,1H3,(H,23,26);1H
InChIKeyJGAULFCDNMCWSV-UHFFFAOYSA-N
XLogP2.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.95
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 20933689
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 20933690
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20933691
2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 18571803
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18571835
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride (CID 18571824) is 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3c(F)cccc3F)CC2)cc1.Cl.
What is the InChIKey of 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
The InChIKey is JGAULFCDNMCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3S.ClH/c1-15-5-7-16(8-6-15)29(27,28)25-13-11-24(12-14-25)10-9-23-20(26)19-17(21)3-2-4-18(19)22;/h2-8H,9-14H2,1H3,(H,23,26);1H.
What are the key properties of 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 459.95 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 18571824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).