4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

C19H21F2N3O3S — CID 1305605

IUPAC4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O3S/c1-22(28(26,27)18-8-4-16(21)5-9-18)14-19(25)24-12-10-23(11-13-24)17-6-2-15(20)3-7-17/h2-9H,10-14H2,1H3
InChIKeyAXNXIJLAVQHLQJ-UHFFFAOYSA-N
MW409.46 g/mol
LogP1.93
Rot. Bonds5

About 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 1305605) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID1305605
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O3S/c1-22(28(26,27)18-8-4-16(21)5-9-18)14-19(25)24-12-10-23(11-13-24)17-6-2-15(20)3-7-17/h2-9H,10-14H2,1H3
InChIKeyAXNXIJLAVQHLQJ-UHFFFAOYSA-N
XLogP1.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
1-(2,3,4,5,6-Pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
4-(4-Fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093238
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
N-(2,4-difluorophenyl)-2-[(phenylsulfonyl)amino]acetamide
CID 900314
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
2-Azepan-1-yl-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
CID 1152663
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide
CID 2814221
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 3154525
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4788777
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 1305605) is 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is AXNXIJLAVQHLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-22(28(26,27)18-8-4-16(21)5-9-18)14-19(25)24-12-10-23(11-13-24)17-6-2-15(20)3-7-17/h2-9H,10-14H2,1H3.
What are the key properties of 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 409.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 1305605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).