3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide

C17H25BrN2O3S — CID 3238751

IUPAC3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCN(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H25BrN2O3S/c1-14-6-10-20(11-7-14)12-9-19-17(21)8-13-24(22,23)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3,(H,19,21)
InChIKeyKFUJAUXOOHUDPS-UHFFFAOYSA-N
MW417.37 g/mol
LogP2.46
Rot. Bonds7

About 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide

3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 3238751) has the molecular formula C17H25BrN2O3S and a molecular weight of 417.37 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID3238751
Molecular FormulaC17H25BrN2O3S
Molecular Weight417.37 g/mol
Exact Mass416.08
IUPAC Name3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCN(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H25BrN2O3S/c1-14-6-10-20(11-7-14)12-9-19-17(21)8-13-24(22,23)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3,(H,19,21)
InChIKeyKFUJAUXOOHUDPS-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide (CID 3238751) is 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide is CC1CCN(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is KFUJAUXOOHUDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3S/c1-14-6-10-20(11-7-14)12-9-19-17(21)8-13-24(22,23)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3,(H,19,21).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 417.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 3238751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).