4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide

C12H14BrF3N2O3S — CID 69167595

IUPAC4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O3S/c13-8-1-2-11(10(7-8)21-12(14,15)16)22(19,20)18-9-3-5-17-6-4-9/h1-2,7,9,17-18H,3-6H2
InChIKeyQKOPLJNAZNSGGL-UHFFFAOYSA-N
MW403.22 g/mol
LogP2.38
Rot. Bonds4

About 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide

4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 69167595) has the molecular formula C12H14BrF3N2O3S and a molecular weight of 403.22 g/mol. Its IUPAC name is 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID69167595
Molecular FormulaC12H14BrF3N2O3S
Molecular Weight403.22 g/mol
Exact Mass401.99
IUPAC Name4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O3S/c13-8-1-2-11(10(7-8)21-12(14,15)16)22(19,20)18-9-3-5-17-6-4-9/h1-2,7,9,17-18H,3-6H2
InChIKeyQKOPLJNAZNSGGL-UHFFFAOYSA-N
XLogP2.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide (CID 69167595) is 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1CCNCC1)c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QKOPLJNAZNSGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O3S/c13-8-1-2-11(10(7-8)21-12(14,15)16)22(19,20)18-9-3-5-17-6-4-9/h1-2,7,9,17-18H,3-6H2.
What are the key properties of 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide?
4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 403.22 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-piperidin-4-yl-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 69167595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).