[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone

C16H19BrF2N2O3S — CID 175667715

IUPAC[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2Br)C1)N1CCCC(F)(F)C1
InChIInChI=1S/C16H19BrF2N2O3S/c17-13-4-1-2-5-14(13)25(23,24)21-9-6-12(10-21)15(22)20-8-3-7-16(18,19)11-20/h1-2,4-5,12H,3,6-11H2
InChIKeyPOUPNPZOSKOJLD-UHFFFAOYSA-N
MW437.31 g/mol
LogP2.72
Rot. Bonds3

About [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone

[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone (PubChem CID 175667715) has the molecular formula C16H19BrF2N2O3S and a molecular weight of 437.31 g/mol. Its IUPAC name is [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone
PubChem CID175667715
Molecular FormulaC16H19BrF2N2O3S
Molecular Weight437.31 g/mol
Exact Mass436.03
IUPAC Name[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2Br)C1)N1CCCC(F)(F)C1
InChIInChI=1S/C16H19BrF2N2O3S/c17-13-4-1-2-5-14(13)25(23,24)21-9-6-12(10-21)15(22)20-8-3-7-16(18,19)11-20/h1-2,4-5,12H,3,6-11H2
InChIKeyPOUPNPZOSKOJLD-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175667701
1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 175667703
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
[1-(3-bromophenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 175666686
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388
3-(2-bromoethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80674640
1-(2-bromophenyl)sulfonylpiperidine-3-carbaldehyde
CID 63846227
3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine
CID 90585024
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
2-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178865
3-amino-1-(2-bromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323812
1-(2,5-dibromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030797

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone (CID 175667715) is [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone is O=C(C1CCN(S(=O)(=O)c2ccccc2Br)C1)N1CCCC(F)(F)C1.
What is the InChIKey of [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone?
The InChIKey is POUPNPZOSKOJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrF2N2O3S/c17-13-4-1-2-5-14(13)25(23,24)21-9-6-12(10-21)15(22)20-8-3-7-16(18,19)11-20/h1-2,4-5,12H,3,6-11H2.
What are the key properties of [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone?
[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone has a molecular weight of 437.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 175667715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).