N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

C19H22FN3O3S — CID 4806855

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O3S/c20-17-8-4-5-9-18(17)22-12-14-23(15-13-22)19(24)10-11-21-27(25,26)16-6-2-1-3-7-16/h1-9,21H,10-15H2
InChIKeyXIHJRJNHFKIGNW-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.84
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 4806855) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID4806855
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O3S/c20-17-8-4-5-9-18(17)22-12-14-23(15-13-22)19(24)10-11-21-27(25,26)16-6-2-1-3-7-16/h1-9,21H,10-15H2
InChIKeyXIHJRJNHFKIGNW-UHFFFAOYSA-N
XLogP1.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 4806855) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is XIHJRJNHFKIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-17-8-4-5-9-18(17)22-12-14-23(15-13-22)19(24)10-11-21-27(25,26)16-6-2-1-3-7-16/h1-9,21H,10-15H2.
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 4806855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).