N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide

C11H15F2N3O2S2 — CID 61252719

IUPACN-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(SC(F)F)cc1)N1CCNCC1
InChIInChI=1S/C11H15F2N3O2S2/c12-11(13)19-10-3-1-9(2-4-10)15-20(17,18)16-7-5-14-6-8-16/h1-4,11,14-15H,5-8H2
InChIKeySCJOZNCYEIKFDX-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.56
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide

N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide (PubChem CID 61252719) has the molecular formula C11H15F2N3O2S2 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide
PubChem CID61252719
Molecular FormulaC11H15F2N3O2S2
Molecular Weight323.39 g/mol
Exact Mass323.06
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(SC(F)F)cc1)N1CCNCC1
InChIInChI=1S/C11H15F2N3O2S2/c12-11(13)19-10-3-1-9(2-4-10)15-20(17,18)16-7-5-14-6-8-16/h1-4,11,14-15H,5-8H2
InChIKeySCJOZNCYEIKFDX-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide (CID 61252719) is N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide is O=S(=O)(Nc1ccc(SC(F)F)cc1)N1CCNCC1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide?
The InChIKey is SCJOZNCYEIKFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2S2/c12-11(13)19-10-3-1-9(2-4-10)15-20(17,18)16-7-5-14-6-8-16/h1-4,11,14-15H,5-8H2.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide?
N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide has a molecular weight of 323.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61252719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).