4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

C15H24FN3O2S — CID 60530804

IUPAC4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(F)cc1)CN1CCN(C)CC1
InChIInChI=1S/C15H24FN3O2S/c1-13(12-19-9-7-18(2)8-10-19)11-17-22(20,21)15-5-3-14(16)4-6-15/h3-6,13,17H,7-12H2,1-2H3
InChIKeyGYBGXSOBASPSEA-UHFFFAOYSA-N
MW329.44 g/mol
LogP0.99
Rot. Bonds6

About 4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 60530804) has the molecular formula C15H24FN3O2S and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID60530804
Molecular FormulaC15H24FN3O2S
Molecular Weight329.44 g/mol
Exact Mass329.16
IUPAC Name4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(F)cc1)CN1CCN(C)CC1
InChIInChI=1S/C15H24FN3O2S/c1-13(12-19-9-7-18(2)8-10-19)11-17-22(20,21)15-5-3-14(16)4-6-15/h3-6,13,17H,7-12H2,1-2H3
InChIKeyGYBGXSOBASPSEA-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60531038
4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 87024812
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
N-(3-chloro-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 65036723
N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 114298088
N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 120582028
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631191
N-(4-chloro-2-methylbutyl)-4-fluorobenzenesulfonamide
CID 66092046
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61020791

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 60530804) is 4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(F)cc1)CN1CCN(C)CC1.
What is the InChIKey of 4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is GYBGXSOBASPSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2S/c1-13(12-19-9-7-18(2)8-10-19)11-17-22(20,21)15-5-3-14(16)4-6-15/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 329.44 g/mol, XLogP of 0.99, 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-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 60530804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).