N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide

C13H19F2N3O2S — CID 61254311

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide
SMILESCC(Cc1c(F)cccc1F)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H19F2N3O2S/c1-10(9-11-12(14)3-2-4-13(11)15)17-21(19,20)18-7-5-16-6-8-18/h2-4,10,16-17H,5-9H2,1H3
InChIKeyOSXLRQXEPINTGP-UHFFFAOYSA-N
MW319.38 g/mol
LogP0.64
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide

N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide (PubChem CID 61254311) has the molecular formula C13H19F2N3O2S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide
PubChem CID61254311
Molecular FormulaC13H19F2N3O2S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide
SMILESCC(Cc1c(F)cccc1F)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H19F2N3O2S/c1-10(9-11-12(14)3-2-4-13(11)15)17-21(19,20)18-7-5-16-6-8-18/h2-4,10,16-17H,5-9H2,1H3
InChIKeyOSXLRQXEPINTGP-UHFFFAOYSA-N
XLogP0.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide (CID 61254311) is N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide is CC(Cc1c(F)cccc1F)NS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide?
The InChIKey is OSXLRQXEPINTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2S/c1-10(9-11-12(14)3-2-4-13(11)15)17-21(19,20)18-7-5-16-6-8-18/h2-4,10,16-17H,5-9H2,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide has a molecular weight of 319.38 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide is sourced from PubChem (CID 61254311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).