N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

C17H20FN3O3S2 — CID 4249831

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20FN3O3S2/c1-19(26(23,24)17-3-2-12-25-17)13-16(22)21-10-8-20(9-11-21)15-6-4-14(18)5-7-15/h2-7,12H,8-11,13H2,1H3
InChIKeyJZOGDARCYKLDHU-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 4249831) has the molecular formula C17H20FN3O3S2 and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
PubChem CID4249831
Molecular FormulaC17H20FN3O3S2
Molecular Weight397.50 g/mol
Exact Mass397.09
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20FN3O3S2/c1-19(26(23,24)17-3-2-12-25-17)13-16(22)21-10-8-20(9-11-21)15-6-4-14(18)5-7-15/h2-7,12H,8-11,13H2,1H3
InChIKeyJZOGDARCYKLDHU-UHFFFAOYSA-N
XLogP1.86
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (CID 4249831) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is JZOGDARCYKLDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S2/c1-19(26(23,24)17-3-2-12-25-17)13-16(22)21-10-8-20(9-11-21)15-6-4-14(18)5-7-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 4249831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).