1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine

C11H13BrF2N2O2S — CID 115300442

IUPAC1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C11H13BrF2N2O2S/c1-15-8-2-3-16(6-8)19(17,18)11-9(12)4-7(13)5-10(11)14/h4-5,8,15H,2-3,6H2,1H3
InChIKeyHUHNXADSIQKMNI-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.71
Rot. Bonds3

About 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine

1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine (PubChem CID 115300442) has the molecular formula C11H13BrF2N2O2S and a molecular weight of 355.20 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine
PubChem CID115300442
Molecular FormulaC11H13BrF2N2O2S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C11H13BrF2N2O2S/c1-15-8-2-3-16(6-8)19(17,18)11-9(12)4-7(13)5-10(11)14/h4-5,8,15H,2-3,6H2,1H3
InChIKeyHUHNXADSIQKMNI-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
CID 43605515
3-bromo-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidine
CID 80668908
2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79117967
(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine
CID 54917710
1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300248
1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
CID 55029986
(2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine
CID 104968320
methyl 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidine-3-carboxylate
CID 78968691
(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962604

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine (CID 115300442) is 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine is CNC1CCN(S(=O)(=O)c2c(F)cc(F)cc2Br)C1.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine?
The InChIKey is HUHNXADSIQKMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2S/c1-15-8-2-3-16(6-8)19(17,18)11-9(12)4-7(13)5-10(11)14/h4-5,8,15H,2-3,6H2,1H3.
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine?
1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine has a molecular weight of 355.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).