N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide

C19H26N4O2S — CID 18554630

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCCN1CCN(C(CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1
InChIInChI=1S/C19H26N4O2S/c1-2-22-11-13-23(14-12-22)19(17-7-6-10-20-15-17)16-21-26(24,25)18-8-4-3-5-9-18/h3-10,15,19,21H,2,11-14,16H2,1H3
InChIKeyRWUAJACIFLLRBN-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide

N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 18554630) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID18554630
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCCN1CCN(C(CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1
InChIInChI=1S/C19H26N4O2S/c1-2-22-11-13-23(14-12-22)19(17-7-6-10-20-15-17)16-21-26(24,25)18-8-4-3-5-9-18/h3-10,15,19,21H,2,11-14,16H2,1H3
InChIKeyRWUAJACIFLLRBN-UHFFFAOYSA-N
XLogP1.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (CID 18554630) is N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is CCN1CCN(C(CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is RWUAJACIFLLRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-2-22-11-13-23(14-12-22)19(17-7-6-10-20-15-17)16-21-26(24,25)18-8-4-3-5-9-18/h3-10,15,19,21H,2,11-14,16H2,1H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 18554630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).