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

C22H23F2N3O2S — CID 23451057

IUPAC4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1
InChIInChI=1S/C22H23F2N3O2S/c1-26(2)16-9-15(10-17(11-16)27(3)4)20-13-22(24)21(23)12-19(20)14-5-7-18(8-6-14)30(25,28)29/h5-13H,1-4H3,(H2,25,28,29)
InChIKeyHUTMCCKHSCSUAD-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.08
Rot. Bonds5

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

4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 23451057) has the molecular formula C22H23F2N3O2S and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
PubChem CID23451057
Molecular FormulaC22H23F2N3O2S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1
InChIInChI=1S/C22H23F2N3O2S/c1-26(2)16-9-15(10-17(11-16)27(3)4)20-13-22(24)21(23)12-19(20)14-5-7-18(8-6-14)30(25,28)29/h5-13H,1-4H3,(H2,25,28,29)
InChIKeyHUTMCCKHSCSUAD-UHFFFAOYSA-N
XLogP4.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.08
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)phenyl]-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide (CID 23451057) is 4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide is CN(C)c1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1.
What is the InChIKey of 4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is HUTMCCKHSCSUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2S/c1-26(2)16-9-15(10-17(11-16)27(3)4)20-13-22(24)21(23)12-19(20)14-5-7-18(8-6-14)30(25,28)29/h5-13H,1-4H3,(H2,25,28,29).
What are the key properties of 4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide?
4-[2-[3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 431.51 g/mol, XLogP of 4.08, 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)phenyl]-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 23451057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).