3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

C20H23F2N3O3S — CID 20933689

IUPAC3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C20H23F2N3O3S/c1-15-2-5-17(6-3-15)29(27,28)25-12-10-24(11-13-25)9-8-23-20(26)16-4-7-18(21)19(22)14-16/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyWWRGIERRPKFFBG-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.01
Rot. Bonds6

About 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (PubChem CID 20933689) has the molecular formula C20H23F2N3O3S and a molecular weight of 423.49 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
PubChem CID20933689
Molecular FormulaC20H23F2N3O3S
Molecular Weight423.49 g/mol
Exact Mass423.14
IUPAC Name3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C20H23F2N3O3S/c1-15-2-5-17(6-3-15)29(27,28)25-12-10-24(11-13-25)9-8-23-20(26)16-4-7-18(21)19(22)14-16/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyWWRGIERRPKFFBG-UHFFFAOYSA-N
XLogP2.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20933691
4-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-nitrobenzamide
CID 29196462
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 18571803
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399
N-(3,4-difluorophenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 38095674
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18571835
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 20933690

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (CID 20933689) is 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The InChIKey is WWRGIERRPKFFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3S/c1-15-2-5-17(6-3-15)29(27,28)25-12-10-24(11-13-25)9-8-23-20(26)16-4-7-18(21)19(22)14-16/h2-7,14H,8-13H2,1H3,(H,23,26).
What are the key properties of 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 20933689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).