4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide

C13H16BrF3N2O4S — CID 6736444

IUPAC4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H16BrF3N2O4S/c14-10-1-2-12(11(9-10)23-13(15,16)17)24(20,21)18-3-4-19-5-7-22-8-6-19/h1-2,9,18H,3-8H2
InChIKeyOOAICABDMFNUQK-UHFFFAOYSA-N
MW433.25 g/mol
LogP1.96
Rot. Bonds6

About 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide

4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 6736444) has the molecular formula C13H16BrF3N2O4S and a molecular weight of 433.25 g/mol. Its IUPAC name is 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID6736444
Molecular FormulaC13H16BrF3N2O4S
Molecular Weight433.25 g/mol
Exact Mass432.00
IUPAC Name4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H16BrF3N2O4S/c14-10-1-2-12(11(9-10)23-13(15,16)17)24(20,21)18-3-4-19-5-7-22-8-6-19/h1-2,9,18H,3-8H2
InChIKeyOOAICABDMFNUQK-UHFFFAOYSA-N
XLogP1.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 6736444) is 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OOAICABDMFNUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O4S/c14-10-1-2-12(11(9-10)23-13(15,16)17)24(20,21)18-3-4-19-5-7-22-8-6-19/h1-2,9,18H,3-8H2.
What are the key properties of 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 433.25 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-morpholin-4-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 6736444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).