1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide

C20H26FN3O3S — CID 29344587

IUPAC1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN3O3S/c1-27-20-5-3-2-4-19(20)24-14-12-23(13-15-24)11-10-22-28(25,26)16-17-6-8-18(21)9-7-17/h2-9,22H,10-16H2,1H3
InChIKeyJRRNWTHQFFZZIZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.08
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 29344587) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide
PubChem CID29344587
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC Name1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN3O3S/c1-27-20-5-3-2-4-19(20)24-14-12-23(13-15-24)11-10-22-28(25,26)16-17-6-8-18(21)9-7-17/h2-9,22H,10-16H2,1H3
InChIKeyJRRNWTHQFFZZIZ-UHFFFAOYSA-N
XLogP2.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide (CID 29344587) is 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide is COc1ccccc1N1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is JRRNWTHQFFZZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-27-20-5-3-2-4-19(20)24-14-12-23(13-15-24)11-10-22-28(25,26)16-17-6-8-18(21)9-7-17/h2-9,22H,10-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 407.51 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 29344587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).