4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide

C23H25F2N3O2S — CID 23451067

IUPAC4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide
SMILESCc1c(N(C)C)cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1N(C)C
InChIInChI=1S/C23H25F2N3O2S/c1-14-22(27(2)3)10-16(11-23(14)28(4)5)19-13-21(25)20(24)12-18(19)15-6-8-17(9-7-15)31(26,29)30/h6-13H,1-5H3,(H2,26,29,30)
InChIKeyQPYXSEBOJOAAAU-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.39
Rot. Bonds5

About 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide

4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 23451067) has the molecular formula C23H25F2N3O2S and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide
PubChem CID23451067
Molecular FormulaC23H25F2N3O2S
Molecular Weight445.54 g/mol
Exact Mass445.16
IUPAC Name4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide
SMILESCc1c(N(C)C)cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1N(C)C
InChIInChI=1S/C23H25F2N3O2S/c1-14-22(27(2)3)10-16(11-23(14)28(4)5)19-13-21(25)20(24)12-18(19)15-6-8-17(9-7-15)31(26,29)30/h6-13H,1-5H3,(H2,26,29,30)
InChIKeyQPYXSEBOJOAAAU-UHFFFAOYSA-N
XLogP4.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide (CID 23451067) is 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide is Cc1c(N(C)C)cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1N(C)C.
What is the InChIKey of 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is QPYXSEBOJOAAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2S/c1-14-22(27(2)3)10-16(11-23(14)28(4)5)19-13-21(25)20(24)12-18(19)15-6-8-17(9-7-15)31(26,29)30/h6-13H,1-5H3,(H2,26,29,30).
What are the key properties of 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide?
4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 445.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 23451067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).