2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide

C11H13F4NO3S — CID 155578209

IUPAC2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1c(F)c(F)c(F)c(F)c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H13F4NO3S/c1-5(2)19-10-8(14)6(12)7(13)9(15)11(10)20(17,18)16(3)4/h5H,1-4H3
InChIKeyDXSCJCITKFAMAQ-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.28
Rot. Bonds4

About 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide

2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide (PubChem CID 155578209) has the molecular formula C11H13F4NO3S and a molecular weight of 315.29 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide
PubChem CID155578209
Molecular FormulaC11H13F4NO3S
Molecular Weight315.29 g/mol
Exact Mass315.06
IUPAC Name2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1c(F)c(F)c(F)c(F)c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H13F4NO3S/c1-5(2)19-10-8(14)6(12)7(13)9(15)11(10)20(17,18)16(3)4/h5H,1-4H3
InChIKeyDXSCJCITKFAMAQ-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide (CID 155578209) is 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide is CC(C)Oc1c(F)c(F)c(F)c(F)c1S(=O)(=O)N(C)C.
What is the InChIKey of 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide?
The InChIKey is DXSCJCITKFAMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO3S/c1-5(2)19-10-8(14)6(12)7(13)9(15)11(10)20(17,18)16(3)4/h5H,1-4H3.
What are the key properties of 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide?
2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide has a molecular weight of 315.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 155578209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).