2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide

C14H20BrFN2O2S — CID 60824370

IUPAC2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O2S/c1-2-9-18(12-5-7-17-8-6-12)21(19,20)14-4-3-11(16)10-13(14)15/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyOMSMZCJTYSGSLC-UHFFFAOYSA-N
MW379.30 g/mol
LogP2.74
Rot. Bonds5

About 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide

2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide (PubChem CID 60824370) has the molecular formula C14H20BrFN2O2S and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
PubChem CID60824370
Molecular FormulaC14H20BrFN2O2S
Molecular Weight379.30 g/mol
Exact Mass378.04
IUPAC Name2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O2S/c1-2-9-18(12-5-7-17-8-6-12)21(19,20)14-4-3-11(16)10-13(14)15/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyOMSMZCJTYSGSLC-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide (CID 60824370) is 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The InChIKey is OMSMZCJTYSGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2S/c1-2-9-18(12-5-7-17-8-6-12)21(19,20)14-4-3-11(16)10-13(14)15/h3-4,10,12,17H,2,5-9H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide has a molecular weight of 379.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 60824370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).