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

C24H28N4O2S — CID 5310184

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H28N4O2S/c29-31(30,23-11-5-2-6-12-23)26-19-24(22-10-7-13-25-18-22)28-16-14-27(15-17-28)20-21-8-3-1-4-9-21/h1-13,18,24,26H,14-17,19-20H2
InChIKeyNNZWRXTZFOMDNZ-UHFFFAOYSA-N
MW436.58 g/mol
LogP2.92
Rot. Bonds8

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

N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 5310184) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID5310184
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H28N4O2S/c29-31(30,23-11-5-2-6-12-23)26-19-24(22-10-7-13-25-18-22)28-16-14-27(15-17-28)20-21-8-3-1-4-9-21/h1-13,18,24,26H,14-17,19-20H2
InChIKeyNNZWRXTZFOMDNZ-UHFFFAOYSA-N
XLogP2.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (CID 5310184) is N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is NNZWRXTZFOMDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c29-31(30,23-11-5-2-6-12-23)26-19-24(22-10-7-13-25-18-22)28-16-14-27(15-17-28)20-21-8-3-1-4-9-21/h1-13,18,24,26H,14-17,19-20H2.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 436.58 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 5310184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).