4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide

C20H17F2NO4S — CID 10621294

IUPAC4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C20H17F2NO4S/c1-26-19-8-5-13(9-20(19)27-2)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)28(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyDYBYPXGXLZNZQU-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.96
Rot. Bonds5

About 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide

4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 10621294) has the molecular formula C20H17F2NO4S and a molecular weight of 405.42 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID10621294
Molecular FormulaC20H17F2NO4S
Molecular Weight405.42 g/mol
Exact Mass405.08
IUPAC Name4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C20H17F2NO4S/c1-26-19-8-5-13(9-20(19)27-2)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)28(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyDYBYPXGXLZNZQU-UHFFFAOYSA-N
XLogP3.96
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide (CID 10621294) is 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide is COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is DYBYPXGXLZNZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4S/c1-26-19-8-5-13(9-20(19)27-2)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)28(23,24)25/h3-11H,1-2H3,(H2,23,24,25).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 405.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 10621294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).