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

C20H26ClN3O2S — CID 23604922

IUPAC4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCCN1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1
InChIInChI=1S/C20H26ClN3O2S/c1-2-23-12-14-24(15-13-23)20(17-6-4-3-5-7-17)16-22-27(25,26)19-10-8-18(21)9-11-19/h3-11,20,22H,2,12-16H2,1H3
InChIKeyLRCMOUHDYKRQLI-UHFFFAOYSA-N
MW407.97 g/mol
LogP3.00
Rot. Bonds7

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

4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide (PubChem CID 23604922) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
PubChem CID23604922
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC Name4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCCN1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1
InChIInChI=1S/C20H26ClN3O2S/c1-2-23-12-14-24(15-13-23)20(17-6-4-3-5-7-17)16-22-27(25,26)19-10-8-18(21)9-11-19/h3-11,20,22H,2,12-16H2,1H3
InChIKeyLRCMOUHDYKRQLI-UHFFFAOYSA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide (CID 23604922) is 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide is CCN1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The InChIKey is LRCMOUHDYKRQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2S/c1-2-23-12-14-24(15-13-23)20(17-6-4-3-5-7-17)16-22-27(25,26)19-10-8-18(21)9-11-19/h3-11,20,22H,2,12-16H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide has a molecular weight of 407.97 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 23604922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).