4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide

C18H23FN4O2S — CID 30328363

IUPAC4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCN1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccnc2)CC1
InChIInChI=1S/C18H23FN4O2S/c1-22-9-11-23(12-10-22)18(15-3-2-8-20-13-15)14-21-26(24,25)17-6-4-16(19)5-7-17/h2-8,13,18,21H,9-12,14H2,1H3/t18-/m0/s1
InChIKeyGZWIUWJALCREIQ-SFHVURJKSA-N
MW378.47 g/mol
LogP1.49
Rot. Bonds6

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

4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 30328363) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID30328363
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC Name4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCN1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccnc2)CC1
InChIInChI=1S/C18H23FN4O2S/c1-22-9-11-23(12-10-22)18(15-3-2-8-20-13-15)14-21-26(24,25)17-6-4-16(19)5-7-17/h2-8,13,18,21H,9-12,14H2,1H3/t18-/m0/s1
InChIKeyGZWIUWJALCREIQ-SFHVURJKSA-N
XLogP1.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
2,5-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 18554629
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806785
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631191
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
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-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 7087582
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3241938
N-[2-(3,4-dihydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 70895265

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (CID 30328363) is 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is CN1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccnc2)CC1.
What is the InChIKey of 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is GZWIUWJALCREIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-22-9-11-23(12-10-22)18(15-3-2-8-20-13-15)14-21-26(24,25)17-6-4-16(19)5-7-17/h2-8,13,18,21H,9-12,14H2,1H3/t18-/m0/s1.
What are the key properties of 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 30328363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).