4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide

C24H26F4N4O2S — CID 23451111

IUPAC4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2c(F)c(F)c(F)c(F)c2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1N(C)C
InChIInChI=1S/C24H26F4N4O2S/c1-30(2)16-11-14(12-17(31(3)4)24(16)32(5)6)19-18(20(25)22(27)23(28)21(19)26)13-7-9-15(10-8-13)35(29,33)34/h7-12H,1-6H3,(H2,29,33,34)
InChIKeyBAJDZEVRTLTVOA-UHFFFAOYSA-N
MW510.56 g/mol
LogP4.42
Rot. Bonds6

About 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide

4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide (PubChem CID 23451111) has the molecular formula C24H26F4N4O2S and a molecular weight of 510.56 g/mol. Its IUPAC name is 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide
PubChem CID23451111
Molecular FormulaC24H26F4N4O2S
Molecular Weight510.56 g/mol
Exact Mass510.17
IUPAC Name4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2c(F)c(F)c(F)c(F)c2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1N(C)C
InChIInChI=1S/C24H26F4N4O2S/c1-30(2)16-11-14(12-17(31(3)4)24(16)32(5)6)19-18(20(25)22(27)23(28)21(19)26)13-7-9-15(10-8-13)35(29,33)34/h7-12H,1-6H3,(H2,29,33,34)
InChIKeyBAJDZEVRTLTVOA-UHFFFAOYSA-N
XLogP4.42
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide (CID 23451111) is 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide is CN(C)c1cc(-c2c(F)c(F)c(F)c(F)c2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1N(C)C.
What is the InChIKey of 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide?
The InChIKey is BAJDZEVRTLTVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N4O2S/c1-30(2)16-11-14(12-17(31(3)4)24(16)32(5)6)19-18(20(25)22(27)23(28)21(19)26)13-7-9-15(10-8-13)35(29,33)34/h7-12H,1-6H3,(H2,29,33,34).
What are the key properties of 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide?
4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide has a molecular weight of 510.56 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3,4,5-tetrafluoro-6-[3,4,5-tris(dimethylamino)phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 23451111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).