5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide

C13H15BrF3NO4S — CID 146411611

IUPAC5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C13H15BrF3NO4S/c14-8-1-6-11(22-13(15,16)17)12(7-8)23(20,21)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,18-19H,2-5H2
InChIKeyUZRZBNPSDUPQNS-UHFFFAOYSA-N
MW418.23 g/mol
LogP2.93
Rot. Bonds4

About 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide

5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 146411611) has the molecular formula C13H15BrF3NO4S and a molecular weight of 418.23 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID146411611
Molecular FormulaC13H15BrF3NO4S
Molecular Weight418.23 g/mol
Exact Mass416.99
IUPAC Name5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C13H15BrF3NO4S/c14-8-1-6-11(22-13(15,16)17)12(7-8)23(20,21)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,18-19H,2-5H2
InChIKeyUZRZBNPSDUPQNS-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.23
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 146411611) is 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1CCC(O)CC1)c1cc(Br)ccc1OC(F)(F)F.
What is the InChIKey of 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is UZRZBNPSDUPQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO4S/c14-8-1-6-11(22-13(15,16)17)12(7-8)23(20,21)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,18-19H,2-5H2.
What are the key properties of 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 418.23 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 146411611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).