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

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Related Compounds

4-Bromo-1-(dimethylsulfamoylamino)-2-methylbenzene
CID 885216
1-[4-Bromo-2-(trifluoromethyl)phenyl]piperazine
CID 50989358
6-Bromo-3,3-difluoro-1,2,3,4-tetrahydroquinoline
CID 84728814
5-Bromo-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]benzene-1,2-diamine
CID 126622702
4-bromo-N-cyclohexa-2,4-dien-1-yl-2-(trifluoromethyl)aniline
CID 141115656
6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine
CID 142788520
1-[4-Bromo-2-(trifluoromethyl)phenyl]-4-methylsulfonylpiperazine
CID 176890218
1-(4-Bromo-5-fluoro-2-methylphenyl)piperazine
CID 4738848
Piperazin-4-ium-1-ylsulfonyl-[2-(trifluoromethyl)phenyl]azanide
CID 28527941
N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 28527942
N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide
CID 28775757
N-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 29551188

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).