5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H13F5N2O2S — CID 65020571

IUPAC5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H13F5N2O2S/c1-6(2)18(5-11(14,15)16)21(19,20)9-4-7(17)3-8(12)10(9)13/h3-4,6H,5,17H2,1-2H3
InChIKeyYBHZXCHGFRYQMA-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.51
Rot. Bonds4

About 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 65020571) has the molecular formula C11H13F5N2O2S and a molecular weight of 332.29 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID65020571
Molecular FormulaC11H13F5N2O2S
Molecular Weight332.29 g/mol
Exact Mass332.06
IUPAC Name5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H13F5N2O2S/c1-6(2)18(5-11(14,15)16)21(19,20)9-4-7(17)3-8(12)10(9)13/h3-4,6H,5,17H2,1-2H3
InChIKeyYBHZXCHGFRYQMA-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 65020571) is 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is YBHZXCHGFRYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2O2S/c1-6(2)18(5-11(14,15)16)21(19,20)9-4-7(17)3-8(12)10(9)13/h3-4,6H,5,17H2,1-2H3.
What are the key properties of 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 332.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 65020571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).