4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide

C18H21FN4O3S — CID 9255148

IUPAC4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN(CC(=O)N1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O3S/c1-21(27(25,26)17-4-2-15(19)3-5-17)14-18(24)23-12-10-22(11-13-23)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3
InChIKeyKCQOWENSAWMLPD-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.19
Rot. Bonds5

About 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide

4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 9255148) has the molecular formula C18H21FN4O3S and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID9255148
Molecular FormulaC18H21FN4O3S
Molecular Weight392.46 g/mol
Exact Mass392.13
IUPAC Name4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN(CC(=O)N1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O3S/c1-21(27(25,26)17-4-2-15(19)3-5-17)14-18(24)23-12-10-22(11-13-23)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3
InChIKeyKCQOWENSAWMLPD-UHFFFAOYSA-N
XLogP1.19
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 9255148) is 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide is CN(CC(=O)N1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is KCQOWENSAWMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3S/c1-21(27(25,26)17-4-2-15(19)3-5-17)14-18(24)23-12-10-22(11-13-23)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 392.46 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 9255148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).