2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide

C15H23FN4O3S — CID 110496392

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C15H23FN4O3S/c1-3-14(15(21)17-20-10-8-19(2)9-11-20)18-24(22,23)13-6-4-12(16)5-7-13/h4-7,14,18H,3,8-11H2,1-2H3,(H,17,21)
InChIKeyJMWMILKUSBWKKP-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.16
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide

2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide (PubChem CID 110496392) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide
PubChem CID110496392
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C15H23FN4O3S/c1-3-14(15(21)17-20-10-8-19(2)9-11-20)18-24(22,23)13-6-4-12(16)5-7-13/h4-7,14,18H,3,8-11H2,1-2H3,(H,17,21)
InChIKeyJMWMILKUSBWKKP-UHFFFAOYSA-N
XLogP0.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide (CID 110496392) is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide?
The InChIKey is JMWMILKUSBWKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-3-14(15(21)17-20-10-8-19(2)9-11-20)18-24(22,23)13-6-4-12(16)5-7-13/h4-7,14,18H,3,8-11H2,1-2H3,(H,17,21).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide has a molecular weight of 358.44 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide is sourced from PubChem (CID 110496392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).