N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide

C12H18FN3O2S — CID 28775779

IUPACN-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)N1CCNCC1
InChIInChI=1S/C12H18FN3O2S/c13-12-4-2-1-3-11(12)5-6-15-19(17,18)16-9-7-14-8-10-16/h1-4,14-15H,5-10H2
InChIKeyNEXMXSRXOGOECR-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.11
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide

N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide (PubChem CID 28775779) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide
PubChem CID28775779
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)N1CCNCC1
InChIInChI=1S/C12H18FN3O2S/c13-12-4-2-1-3-11(12)5-6-15-19(17,18)16-9-7-14-8-10-16/h1-4,14-15H,5-10H2
InChIKeyNEXMXSRXOGOECR-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 79755749
N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61252751
N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
CID 28775763
3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
CID 106059384
N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230606
N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide
CID 61237119
N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 28505813
N-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide
CID 106048154
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058
2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
CID 107650619
N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide
CID 61254311

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide (CID 28775779) is N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide is O=S(=O)(NCCc1ccccc1F)N1CCNCC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide?
The InChIKey is NEXMXSRXOGOECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c13-12-4-2-1-3-11(12)5-6-15-19(17,18)16-9-7-14-8-10-16/h1-4,14-15H,5-10H2.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide?
N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 28775779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).