N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide

C20H27N3O2S — CID 23604900

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCCN1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-2-22-13-15-23(16-14-22)20(18-9-5-3-6-10-18)17-21-26(24,25)19-11-7-4-8-12-19/h3-12,20-21H,2,13-17H2,1H3
InChIKeyKVNALQDUJLMLQK-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.34
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide

N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide (PubChem CID 23604900) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
PubChem CID23604900
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCCN1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-2-22-13-15-23(16-14-22)20(18-9-5-3-6-10-18)17-21-26(24,25)19-11-7-4-8-12-19/h3-12,20-21H,2,13-17H2,1H3
InChIKeyKVNALQDUJLMLQK-UHFFFAOYSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide (CID 23604900) is N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide is CCN1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The InChIKey is KVNALQDUJLMLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-2-22-13-15-23(16-14-22)20(18-9-5-3-6-10-18)17-21-26(24,25)19-11-7-4-8-12-19/h3-12,20-21H,2,13-17H2,1H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 23604900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).