N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide

C23H25FN4O2S — CID 40606999

IUPACN-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C23H25FN4O2S/c24-21-10-4-5-11-22(21)27-13-15-28(16-14-27)23(19-7-6-12-25-17-19)18-26-31(29,30)20-8-2-1-3-9-20/h1-12,17,23,26H,13-16,18H2/t23-/m0/s1
InChIKeyRQFLEQZGVBJZBQ-QHCPKHFHSA-N
MW440.54 g/mol
LogP3.06
Rot. Bonds7

About N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide

N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 40606999) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID40606999
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC NameN-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C23H25FN4O2S/c24-21-10-4-5-11-22(21)27-13-15-28(16-14-27)23(19-7-6-12-25-17-19)18-26-31(29,30)20-8-2-1-3-9-20/h1-12,17,23,26H,13-16,18H2/t23-/m0/s1
InChIKeyRQFLEQZGVBJZBQ-QHCPKHFHSA-N
XLogP3.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40607001
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 5156861
N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 7087582
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806785
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30328363
4-fluoro-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 94793640
N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 23604903
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(4-methylphenyl)oxamide
CID 94793790
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 22517341
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 3237610

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (CID 40606999) is N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is RQFLEQZGVBJZBQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c24-21-10-4-5-11-22(21)27-13-15-28(16-14-27)23(19-7-6-12-25-17-19)18-26-31(29,30)20-8-2-1-3-9-20/h1-12,17,23,26H,13-16,18H2/t23-/m0/s1.
What are the key properties of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 440.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 40606999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).