2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide

C10H9F7N2O2S — CID 155578303

IUPAC2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1NCC(F)(F)F
InChIInChI=1S/C10H9F7N2O2S/c1-19(2)22(20,21)9-7(14)5(12)4(11)6(13)8(9)18-3-10(15,16)17/h18H,3H2,1-2H3
InChIKeySMXDTQRNBVYVOR-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.47
Rot. Bonds4

About 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide

2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide (PubChem CID 155578303) has the molecular formula C10H9F7N2O2S and a molecular weight of 354.25 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide
PubChem CID155578303
Molecular FormulaC10H9F7N2O2S
Molecular Weight354.25 g/mol
Exact Mass354.03
IUPAC Name2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1NCC(F)(F)F
InChIInChI=1S/C10H9F7N2O2S/c1-19(2)22(20,21)9-7(14)5(12)4(11)6(13)8(9)18-3-10(15,16)17/h18H,3H2,1-2H3
InChIKeySMXDTQRNBVYVOR-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
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-(2,2,2-trifluoroethylamino)benzenesulfonamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide (CID 155578303) is 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1NCC(F)(F)F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide?
The InChIKey is SMXDTQRNBVYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7N2O2S/c1-19(2)22(20,21)9-7(14)5(12)4(11)6(13)8(9)18-3-10(15,16)17/h18H,3H2,1-2H3.
What are the key properties of 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide?
2,3,4,5-tetrafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethylamino)benzenesulfonamide has a molecular weight of 354.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 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-(2,2,2-trifluoroethylamino)benzenesulfonamide is sourced from PubChem (CID 155578303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).