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

C13H15BrF3NO3S — CID 166003408

IUPAC5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C13H15BrF3NO3S/c14-8-1-6-11(13(15,16)17)12(7-8)22(20,21)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,18-19H,2-5H2
InChIKeyQHGFXXJLFGXQCW-UHFFFAOYSA-N
MW402.23 g/mol
LogP3.05
Rot. Bonds3

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

5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 166003408) has the molecular formula C13H15BrF3NO3S and a molecular weight of 402.23 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID166003408
Molecular FormulaC13H15BrF3NO3S
Molecular Weight402.23 g/mol
Exact Mass400.99
IUPAC Name5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C13H15BrF3NO3S/c14-8-1-6-11(13(15,16)17)12(7-8)22(20,21)18-9-2-4-10(19)5-3-9/h1,6-7,9-10,18-19H,2-5H2
InChIKeyQHGFXXJLFGXQCW-UHFFFAOYSA-N
XLogP3.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide (CID 166003408) is 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCC(O)CC1)c1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QHGFXXJLFGXQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO3S/c14-8-1-6-11(13(15,16)17)12(7-8)22(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-(trifluoromethyl)benzenesulfonamide?
5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 402.23 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166003408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).