N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide

C12H17FN4O3S — CID 61252527

IUPACN-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C12H17FN4O3S/c1-9(18)15-10-2-3-11(13)12(8-10)16-21(19,20)17-6-4-14-5-7-17/h2-3,8,14,16H,4-7H2,1H3,(H,15,18)
InChIKeyWEDPUSQTJDENOP-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.35
Rot. Bonds4

About N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide

N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide (PubChem CID 61252527) has the molecular formula C12H17FN4O3S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
PubChem CID61252527
Molecular FormulaC12H17FN4O3S
Molecular Weight316.36 g/mol
Exact Mass316.10
IUPAC NameN-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C12H17FN4O3S/c1-9(18)15-10-2-3-11(13)12(8-10)16-21(19,20)17-6-4-14-5-7-17/h2-3,8,14,16H,4-7H2,1H3,(H,15,18)
InChIKeyWEDPUSQTJDENOP-UHFFFAOYSA-N
XLogP0.35
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61251789
N-[3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 28775811
N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide
CID 60928545
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]acetamide
CID 119414587
N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide
CID 61253139
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid
CID 61455348
5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391077
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide (CID 61252527) is N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide is CC(=O)Nc1ccc(F)c(NS(=O)(=O)N2CCNCC2)c1.
What is the InChIKey of N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide?
The InChIKey is WEDPUSQTJDENOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O3S/c1-9(18)15-10-2-3-11(13)12(8-10)16-21(19,20)17-6-4-14-5-7-17/h2-3,8,14,16H,4-7H2,1H3,(H,15,18).
What are the key properties of N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide?
N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 61252527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).