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

C23H25F2N3O2S — CID 23217231

IUPAC2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide
SMILESCc1c(N(C)C)cc(-c2cc(F)c(F)cc2S(=O)(=O)Nc2ccccc2)cc1N(C)C
InChIInChI=1S/C23H25F2N3O2S/c1-15-21(27(2)3)11-16(12-22(15)28(4)5)18-13-19(24)20(25)14-23(18)31(29,30)26-17-9-7-6-8-10-17/h6-14,26H,1-5H3
InChIKeyWWOSGVULWLQIKI-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.87
Rot. Bonds6

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

2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide (PubChem CID 23217231) has the molecular formula C23H25F2N3O2S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide
PubChem CID23217231
Molecular FormulaC23H25F2N3O2S
Molecular Weight445.54 g/mol
Exact Mass445.16
IUPAC Name2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide
SMILESCc1c(N(C)C)cc(-c2cc(F)c(F)cc2S(=O)(=O)Nc2ccccc2)cc1N(C)C
InChIInChI=1S/C23H25F2N3O2S/c1-15-21(27(2)3)11-16(12-22(15)28(4)5)18-13-19(24)20(25)14-23(18)31(29,30)26-17-9-7-6-8-10-17/h6-14,26H,1-5H3
InChIKeyWWOSGVULWLQIKI-UHFFFAOYSA-N
XLogP4.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide?
The IUPAC name of 2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide (CID 23217231) is 2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide is Cc1c(N(C)C)cc(-c2cc(F)c(F)cc2S(=O)(=O)Nc2ccccc2)cc1N(C)C.
What is the InChIKey of 2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide?
The InChIKey is WWOSGVULWLQIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2S/c1-15-21(27(2)3)11-16(12-22(15)28(4)5)18-13-19(24)20(25)14-23(18)31(29,30)26-17-9-7-6-8-10-17/h6-14,26H,1-5H3.
What are the key properties of 2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide?
2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide has a molecular weight of 445.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(dimethylamino)-4-methylphenyl]-4,5-difluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 23217231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).