6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide

C19H26N4O4S2 — CID 4838799

IUPAC6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C19H26N4O4S2/c1-3-22(4-2)29(26,27)18-10-11-19(20-16-18)21-12-14-23(15-13-21)28(24,25)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyRQLMFRGGZQMRQF-UHFFFAOYSA-N
MW438.58 g/mol
LogP1.62
Rot. Bonds7

About 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide

6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 4838799) has the molecular formula C19H26N4O4S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID4838799
Molecular FormulaC19H26N4O4S2
Molecular Weight438.58 g/mol
Exact Mass438.14
IUPAC Name6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C19H26N4O4S2/c1-3-22(4-2)29(26,27)18-10-11-19(20-16-18)21-12-14-23(15-13-21)28(24,25)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyRQLMFRGGZQMRQF-UHFFFAOYSA-N
XLogP1.62
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide 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 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide (CID 4838799) is 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1.
What is the InChIKey of 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is RQLMFRGGZQMRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S2/c1-3-22(4-2)29(26,27)18-10-11-19(20-16-18)21-12-14-23(15-13-21)28(24,25)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3.
What are the key properties of 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 438.58 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 4838799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).