2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

C20H24FN3O4S — CID 18571753

IUPAC2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O4S/c1-28-16-6-8-17(9-7-16)29(26,27)24-14-12-23(13-15-24)11-10-22-20(25)18-4-2-3-5-19(18)21/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyYAAUMBRRKFNWAY-UHFFFAOYSA-N
MW421.49 g/mol
LogP1.57
Rot. Bonds7

About 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (PubChem CID 18571753) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
PubChem CID18571753
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O4S/c1-28-16-6-8-17(9-7-16)29(26,27)24-14-12-23(13-15-24)11-10-22-20(25)18-4-2-3-5-19(18)21/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyYAAUMBRRKFNWAY-UHFFFAOYSA-N
XLogP1.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571741
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 18571768
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 167975731
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 18571712
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 18571746
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 20933690
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (CID 18571753) is 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The InChIKey is YAAUMBRRKFNWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-28-16-6-8-17(9-7-16)29(26,27)24-14-12-23(13-15-24)11-10-22-20(25)18-4-2-3-5-19(18)21/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide has a molecular weight of 421.49 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 18571753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).