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

C13H16F3NO4S — CID 67134495

IUPACN-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO4S/c14-13(15,16)21-11-3-1-2-4-12(11)22(19,20)17-9-5-7-10(18)8-6-9/h1-4,9-10,17-18H,5-8H2
InChIKeyXQBFDSVQZJRVBF-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.17
Rot. Bonds4

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

N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 67134495) has the molecular formula C13H16F3NO4S and a molecular weight of 339.34 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID67134495
Molecular FormulaC13H16F3NO4S
Molecular Weight339.34 g/mol
Exact Mass339.08
IUPAC NameN-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO4S/c14-13(15,16)21-11-3-1-2-4-12(11)22(19,20)17-9-5-7-10(18)8-6-9/h1-4,9-10,17-18H,5-8H2
InChIKeyXQBFDSVQZJRVBF-UHFFFAOYSA-N
XLogP2.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 67134495) is N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1CCC(O)CC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XQBFDSVQZJRVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4S/c14-13(15,16)21-11-3-1-2-4-12(11)22(19,20)17-9-5-7-10(18)8-6-9/h1-4,9-10,17-18H,5-8H2.
What are the key properties of N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 339.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 67134495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).