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

C23H26N4O2S — CID 7087582

IUPACN-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H26N4O2S/c28-30(29,22-11-5-2-6-12-22)25-19-23(20-8-7-13-24-18-20)27-16-14-26(15-17-27)21-9-3-1-4-10-21/h1-13,18,23,25H,14-17,19H2/t23-/m1/s1
InChIKeyMZGZIIVGDPQAEY-HSZRJFAPSA-N
MW422.55 g/mol
LogP2.92
Rot. Bonds7

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

N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 7087582) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID7087582
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H26N4O2S/c28-30(29,22-11-5-2-6-12-22)25-19-23(20-8-7-13-24-18-20)27-16-14-26(15-17-27)21-9-3-1-4-10-21/h1-13,18,23,25H,14-17,19H2/t23-/m1/s1
InChIKeyMZGZIIVGDPQAEY-HSZRJFAPSA-N
XLogP2.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 3237610
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40607001
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40606999
N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 23604903
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30328363
2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3241938
2-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]propanamide
CID 3503405
N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 92669835
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806785

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (CID 7087582) is N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is MZGZIIVGDPQAEY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N4O2S/c28-30(29,22-11-5-2-6-12-22)25-19-23(20-8-7-13-24-18-20)27-16-14-26(15-17-27)21-9-3-1-4-10-21/h1-13,18,23,25H,14-17,19H2/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 422.55 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 7087582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).