N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide

C11H13ClF3N3O2S — CID 28951052

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H13ClF3N3O2S/c12-9-3-1-2-8(11(13,14)15)10(9)17-21(19,20)18-6-4-16-5-7-18/h1-3,16-17H,4-7H2
InChIKeyDUNDXPJYMZIAFK-UHFFFAOYSA-N
MW343.76 g/mol
LogP1.92
Rot. Bonds3

About N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide

N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide (PubChem CID 28951052) has the molecular formula C11H13ClF3N3O2S and a molecular weight of 343.76 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
PubChem CID28951052
Molecular FormulaC11H13ClF3N3O2S
Molecular Weight343.76 g/mol
Exact Mass343.04
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H13ClF3N3O2S/c12-9-3-1-2-8(11(13,14)15)10(9)17-21(19,20)18-6-4-16-5-7-18/h1-3,16-17H,4-7H2
InChIKeyDUNDXPJYMZIAFK-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Chloro-2-(trifluoromethyl)phenyl)piperazine
CID 53741154
Piperazin-4-ium-1-ylsulfonyl-[2-(trifluoromethyl)phenyl]azanide
CID 28527941
N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 28527942
N-[2-chloro-6-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 28950898
[2-Chloro-6-(trifluoromethyl)phenyl]-piperazin-4-ium-1-ylsulfonylazanide
CID 28951051
[4-Chloro-2-(trifluoromethyl)phenyl]-piperazin-4-ium-1-ylsulfonylazanide
CID 29041825
N-[4-chloro-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 29041826
(2-Chloro-4-fluorophenyl)-piperazin-4-ium-1-ylsulfonylazanide
CID 29080511
N-(2-chloro-4-fluorophenyl)piperazine-1-sulfonamide
CID 29080512
[2-Chloro-5-(trifluoromethyl)phenyl]-piperazin-4-ium-1-ylsulfonylazanide
CID 29775995
N-[2-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 29775996
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]ethanesulfonamide
CID 43121876

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide (CID 28951052) is N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide is O=S(=O)(Nc1c(Cl)cccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The InChIKey is DUNDXPJYMZIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O2S/c12-9-3-1-2-8(11(13,14)15)10(9)17-21(19,20)18-6-4-16-5-7-18/h1-3,16-17H,4-7H2.
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide has a molecular weight of 343.76 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide is sourced from PubChem (CID 28951052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).