3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide

C11H14F3NO3S — CID 43342578

IUPAC3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCC(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-7(2)9-5-8(19(15,16)17)3-4-10(9)18-6-11(12,13)14/h3-5,7H,6H2,1-2H3,(H2,15,16,17)
InChIKeyAEZSOKWMVFISKE-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.40
Rot. Bonds4

About 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide

3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 43342578) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID43342578
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCC(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-7(2)9-5-8(19(15,16)17)3-4-10(9)18-6-11(12,13)14/h3-5,7H,6H2,1-2H3,(H2,15,16,17)
InChIKeyAEZSOKWMVFISKE-UHFFFAOYSA-N
XLogP2.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 43342578) is 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide is CC(C)c1cc(S(N)(=O)=O)ccc1OCC(F)(F)F.
What is the InChIKey of 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is AEZSOKWMVFISKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-7(2)9-5-8(19(15,16)17)3-4-10(9)18-6-11(12,13)14/h3-5,7H,6H2,1-2H3,(H2,15,16,17).
What are the key properties of 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 43342578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).