N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide

C11H13BrF3N3O2S — CID 60790640

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H13BrF3N3O2S/c12-8-1-2-10(9(7-8)11(13,14)15)17-21(19,20)18-5-3-16-4-6-18/h1-2,7,16-17H,3-6H2
InChIKeyTZMVPPVMOUEVHR-UHFFFAOYSA-N
MW388.21 g/mol
LogP2.03
Rot. Bonds3

About N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide

N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide (PubChem CID 60790640) has the molecular formula C11H13BrF3N3O2S and a molecular weight of 388.21 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
PubChem CID60790640
Molecular FormulaC11H13BrF3N3O2S
Molecular Weight388.21 g/mol
Exact Mass386.99
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H13BrF3N3O2S/c12-8-1-2-10(9(7-8)11(13,14)15)17-21(19,20)18-5-3-16-4-6-18/h1-2,7,16-17H,3-6H2
InChIKeyTZMVPPVMOUEVHR-UHFFFAOYSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-bromo-2-(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

N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
CID 60792385
N-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-sulfonamide
CID 43550644
N-(2,4-dimethylphenyl)piperazine-1-sulfonamide
CID 28775571
3-methyl-4-(piperazin-1-ylsulfonylamino)benzoic acid
CID 61254687
5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 107286817
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine-1-sulfonamide
CID 61254678
N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
CID 28785168
4-bromo-N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 65483818
1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2452153
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834329
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 120834328

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide (CID 60790640) is N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The InChIKey is TZMVPPVMOUEVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O2S/c12-8-1-2-10(9(7-8)11(13,14)15)17-21(19,20)18-5-3-16-4-6-18/h1-2,7,16-17H,3-6H2.
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide has a molecular weight of 388.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide is sourced from PubChem (CID 60790640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).