N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

C19H23N3O3S — CID 6461294

IUPACN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(11-12-20-26(24,25)18-9-5-2-6-10-18)22-15-13-21(14-16-22)17-7-3-1-4-8-17/h1-10,20H,11-16H2
InChIKeyOHNAHFDSFXOCBU-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.70
Rot. Bonds6

About N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 6461294) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID6461294
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(11-12-20-26(24,25)18-9-5-2-6-10-18)22-15-13-21(14-16-22)17-7-3-1-4-8-17/h1-10,20H,11-16H2
InChIKeyOHNAHFDSFXOCBU-UHFFFAOYSA-N
XLogP1.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (CID 6461294) is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is OHNAHFDSFXOCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(11-12-20-26(24,25)18-9-5-2-6-10-18)22-15-13-21(14-16-22)17-7-3-1-4-8-17/h1-10,20H,11-16H2.
What are the key properties of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 6461294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).