N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide

C23H26ClN3O2S2 — CID 51624481

IUPACN-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1
InChIInChI=1S/C23H26ClN3O2S2/c24-23-12-11-20(30-23)18-26-13-15-27(16-14-26)22(19-7-3-1-4-8-19)17-25-31(28,29)21-9-5-2-6-10-21/h1-12,22,25H,13-18H2/t22-/m1/s1
InChIKeyROXUOFGTTASHEN-JOCHJYFZSA-N
MW476.07 g/mol
LogP4.24
Rot. Bonds8

About N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide

N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide (PubChem CID 51624481) has the molecular formula C23H26ClN3O2S2 and a molecular weight of 476.07 g/mol. Its IUPAC name is N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
PubChem CID51624481
Molecular FormulaC23H26ClN3O2S2
Molecular Weight476.07 g/mol
Exact Mass475.12
IUPAC NameN-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1
InChIInChI=1S/C23H26ClN3O2S2/c24-23-12-11-20(30-23)18-26-13-15-27(16-14-26)22(19-7-3-1-4-8-19)17-25-31(28,29)21-9-5-2-6-10-21/h1-12,22,25H,13-18H2/t22-/m1/s1
InChIKeyROXUOFGTTASHEN-JOCHJYFZSA-N
XLogP4.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.07
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
4-chloro-N-[(2R)-2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 92669850
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 23604903
N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4830143
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 112503214
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 4842592
N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 4963522
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide (CID 51624481) is N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide is O=S(=O)(NC[C@H](c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The InChIKey is ROXUOFGTTASHEN-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26ClN3O2S2/c24-23-12-11-20(30-23)18-26-13-15-27(16-14-26)22(19-7-3-1-4-8-19)17-25-31(28,29)21-9-5-2-6-10-21/h1-12,22,25H,13-18H2/t22-/m1/s1.
What are the key properties of N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide has a molecular weight of 476.07 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 51624481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).