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

C19H24ClN3O2S — CID 112503214

IUPAC3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2cccc(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-22-10-12-23(13-11-22)19(16-6-3-2-4-7-16)15-21-26(24,25)18-9-5-8-17(20)14-18/h2-9,14,19,21H,10-13,15H2,1H3
InChIKeyNHHIMBGWMCOWMI-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.61
Rot. Bonds6

About 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide

3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide (PubChem CID 112503214) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
PubChem CID112503214
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2cccc(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-22-10-12-23(13-11-22)19(16-6-3-2-4-7-16)15-21-26(24,25)18-9-5-8-17(20)14-18/h2-9,14,19,21H,10-13,15H2,1H3
InChIKeyNHHIMBGWMCOWMI-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403737
3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 31481673
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232
N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
4-chloro-N-[(2R)-2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 92669850
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30631104
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide (CID 112503214) is 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide is CN1CCN(C(CNS(=O)(=O)c2cccc(Cl)c2)c2ccccc2)CC1.
What is the InChIKey of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The InChIKey is NHHIMBGWMCOWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-22-10-12-23(13-11-22)19(16-6-3-2-4-7-16)15-21-26(24,25)18-9-5-8-17(20)14-18/h2-9,14,19,21H,10-13,15H2,1H3.
What are the key properties of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide has a molecular weight of 393.94 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 112503214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).