4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide

C19H24FN3O2S — CID 16890263

IUPAC4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
SMILESCN1CCN(c2ccc(CCNS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-22-12-14-23(15-13-22)18-6-2-16(3-7-18)10-11-21-26(24,25)19-8-4-17(20)5-9-19/h2-9,21H,10-15H2,1H3
InChIKeyXLFGVQVPEJGWGN-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.10
Rot. Bonds6

About 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide

4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide (PubChem CID 16890263) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
PubChem CID16890263
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
SMILESCN1CCN(c2ccc(CCNS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-22-12-14-23(15-13-22)18-6-2-16(3-7-18)10-11-21-26(24,25)19-8-4-17(20)5-9-19/h2-9,21H,10-15H2,1H3
InChIKeyXLFGVQVPEJGWGN-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890284
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890289
4-chloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzenesulfonamide
CID 16890704
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-nitrobenzenesulfonamide
CID 16890287
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide
CID 155988728
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 2942380
1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108902143
N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890531
3,4-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 110405209

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide (CID 16890263) is 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide is CN1CCN(c2ccc(CCNS(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is XLFGVQVPEJGWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-22-12-14-23(15-13-22)18-6-2-16(3-7-18)10-11-21-26(24,25)19-8-4-17(20)5-9-19/h2-9,21H,10-15H2,1H3.
What are the key properties of 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide?
4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 16890263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).