N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

C22H23FN4O2S — CID 42850219

IUPACN-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2S/c23-19-6-9-21(10-7-19)30(28,29)25-20-8-11-22(24-16-20)27-14-12-26(13-15-27)17-18-4-2-1-3-5-18/h1-11,16,25H,12-15,17H2
InChIKeyFGBVCDVNVHTYOL-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.34
Rot. Bonds6

About N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 42850219) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID42850219
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC NameN-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2S/c23-19-6-9-21(10-7-19)30(28,29)25-20-8-11-22(24-16-20)27-14-12-26(13-15-27)17-18-4-2-1-3-5-18/h1-11,16,25H,12-15,17H2
InChIKeyFGBVCDVNVHTYOL-UHFFFAOYSA-N
XLogP3.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 46054096
4-fluoro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011178
4-ethyl-N-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide;hydrochloride
CID 69172168
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011184
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 42857846
N-[6-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 69144677
3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011100
N-(3,4-difluorophenyl)-6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 133452352
N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide
CID 68860348
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133351779

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 42850219) is N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccc(F)cc1.
What is the InChIKey of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is FGBVCDVNVHTYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c23-19-6-9-21(10-7-19)30(28,29)25-20-8-11-22(24-16-20)27-14-12-26(13-15-27)17-18-4-2-1-3-5-18/h1-11,16,25H,12-15,17H2.
What are the key properties of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 426.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 42850219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).