2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide

C20H18F2N2O2S — CID 23217514

IUPAC2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide
SMILESCN(C)c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H18F2N2O2S/c1-24(2)16-10-6-7-14(11-16)17-12-18(21)19(22)13-20(17)27(25,26)23-15-8-4-3-5-9-15/h3-13,23H,1-2H3
InChIKeyKTZJDBUDFRANEP-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.50
Rot. Bonds5

About 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide

2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide (PubChem CID 23217514) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide
PubChem CID23217514
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide
SMILESCN(C)c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H18F2N2O2S/c1-24(2)16-10-6-7-14(11-16)17-12-18(21)19(22)13-20(17)27(25,26)23-15-8-4-3-5-9-15/h3-13,23H,1-2H3
InChIKeyKTZJDBUDFRANEP-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide (CID 23217514) is 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide is CN(C)c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide?
The InChIKey is KTZJDBUDFRANEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-24(2)16-10-6-7-14(11-16)17-12-18(21)19(22)13-20(17)27(25,26)23-15-8-4-3-5-9-15/h3-13,23H,1-2H3.
What are the key properties of 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide?
2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide has a molecular weight of 388.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]-4,5-difluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 23217514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).