6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide

C20H25N5O4S2 — CID 4833036

IUPAC6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1
InChIInChI=1S/C20H25N5O4S2/c1-3-24(4-2)30(26,27)18-9-10-20(22-16-18)23-11-13-25(14-12-23)31(28,29)19-8-6-5-7-17(19)15-21/h5-10,16H,3-4,11-14H2,1-2H3
InChIKeyRTDVRJRTUUIXFA-UHFFFAOYSA-N
MW463.59 g/mol
LogP1.49
Rot. Bonds7

About 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide

6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 4833036) has the molecular formula C20H25N5O4S2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID4833036
Molecular FormulaC20H25N5O4S2
Molecular Weight463.59 g/mol
Exact Mass463.13
IUPAC Name6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1
InChIInChI=1S/C20H25N5O4S2/c1-3-24(4-2)30(26,27)18-9-10-20(22-16-18)23-11-13-25(14-12-23)31(28,29)19-8-6-5-7-17(19)15-21/h5-10,16H,3-4,11-14H2,1-2H3
InChIKeyRTDVRJRTUUIXFA-UHFFFAOYSA-N
XLogP1.49
TPSA114.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-cyanophenyl)sulfonylpiperazin-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-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide (CID 4833036) is 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1.
What is the InChIKey of 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is RTDVRJRTUUIXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S2/c1-3-24(4-2)30(26,27)18-9-10-20(22-16-18)23-11-13-25(14-12-23)31(28,29)19-8-6-5-7-17(19)15-21/h5-10,16H,3-4,11-14H2,1-2H3.
What are the key properties of 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 463.59 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 4833036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).