1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine

C11H14Br2N2O2S — CID 115300248

IUPAC1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C11H14Br2N2O2S/c1-14-9-4-5-15(7-9)18(16,17)11-3-2-8(12)6-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyNLYXFHJVIOZWPK-UHFFFAOYSA-N
MW398.12 g/mol
LogP2.19
Rot. Bonds3

About 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine

1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine (PubChem CID 115300248) has the molecular formula C11H14Br2N2O2S and a molecular weight of 398.12 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
PubChem CID115300248
Molecular FormulaC11H14Br2N2O2S
Molecular Weight398.12 g/mol
Exact Mass395.91
IUPAC Name1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C11H14Br2N2O2S/c1-14-9-4-5-15(7-9)18(16,17)11-3-2-8(12)6-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyNLYXFHJVIOZWPK-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-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

(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868686
1-(2-bromo-4-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715241
[1-(2,4-dibromophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971871
1-(2-bromo-4-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714497
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963060
1-(4-bromo-2-nitrophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980200
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957
1-(5-bromo-2-methoxyphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979931

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine (CID 115300248) is 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine is CNC1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1.
What is the InChIKey of 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine?
The InChIKey is NLYXFHJVIOZWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O2S/c1-14-9-4-5-15(7-9)18(16,17)11-3-2-8(12)6-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine?
1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine has a molecular weight of 398.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).