1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine

C11H12BrF3N2O3S — CID 68850191

IUPAC1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)C1
InChIInChI=1S/C11H12BrF3N2O3S/c12-7-1-2-10(9(5-7)20-11(13,14)15)21(18,19)17-4-3-8(16)6-17/h1-2,5,8H,3-4,6,16H2
InChIKeyJSILULVYRKLTOK-UHFFFAOYSA-N
MW389.19 g/mol
LogP2.07
Rot. Bonds3

About 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine

1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine (PubChem CID 68850191) has the molecular formula C11H12BrF3N2O3S and a molecular weight of 389.19 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
PubChem CID68850191
Molecular FormulaC11H12BrF3N2O3S
Molecular Weight389.19 g/mol
Exact Mass387.97
IUPAC Name1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)C1
InChIInChI=1S/C11H12BrF3N2O3S/c12-7-1-2-10(9(5-7)20-11(13,14)15)21(18,19)17-4-3-8(16)6-17/h1-2,5,8H,3-4,6,16H2
InChIKeyJSILULVYRKLTOK-UHFFFAOYSA-N
XLogP2.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine 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

4-bromo-N-(2-morpholin-4-yl-ethyl)-2-trifluoromethoxy-benzene sulfonamide
CID 6736444
N-(1-benzylpyrrolidin-3-yl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
CID 3796187
4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 84599198
4-bromo-N-[2-(dimethylsulfamoylamino)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 121560512
1-[4-Bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 3447935
1-{[4-Bromo-2-(trifluoromethoxy)phenyl]sulfonyl}-4-methylpiperazine
CID 3579390
4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 59443440
4-bromo-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide
CID 68408168
4-bromo-N-cyclopropyl-2-(trifluoromethoxy)benzenesulfonamide
CID 68475204
4-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide
CID 68479618
4-bromo-N-ethyl-2-(trifluoromethoxy)benzenesulfonamide
CID 68481084
1-{[4-Bromo-2-(trifluoromethoxy)phenyl]sulfonyl}pyrrolidine
CID 68481287

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine (CID 68850191) is 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine is NC1CCN(S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)C1.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine?
The InChIKey is JSILULVYRKLTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O3S/c12-7-1-2-10(9(5-7)20-11(13,14)15)21(18,19)17-4-3-8(16)6-17/h1-2,5,8H,3-4,6,16H2.
What are the key properties of 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine?
1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine has a molecular weight of 389.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 68850191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).