4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

C19H14F3NO3S — CID 44394272

IUPAC4-[3,4-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOC1=C(C=C(C=C1)C2=C(C=CC(=C2F)F)C3=CC=C(C=C3)S(=O)(=O)N)F
InChIInChI=1S/C19H14F3NO3S/c1-26-17-9-4-12(10-16(17)21)18-14(7-8-15(20)19(18)22)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyVAVYTEMFUFRIBJ-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.00
Rot. Bonds4

About 4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 44394272) has the molecular formula C19H14F3NO3S and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-[3,4-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID44394272
Molecular FormulaC19H14F3NO3S
Molecular Weight393.40 g/mol
Exact Mass393.06
IUPAC Name4-[3,4-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOC1=C(C=C(C=C1)C2=C(C=CC(=C2F)F)C3=CC=C(C=C3)S(=O)(=O)N)F
InChIInChI=1S/C19H14F3NO3S/c1-26-17-9-4-12(10-16(17)21)18-14(7-8-15(20)19(18)22)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyVAVYTEMFUFRIBJ-UHFFFAOYSA-N
XLogP4.00
TPSA77.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity591

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (CID 44394272) is 4-[3,4-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is COC1=C(C=C(C=C1)C2=C(C=CC(=C2F)F)C3=CC=C(C=C3)S(=O)(=O)N)F.
What is the InChIKey of 4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is VAVYTEMFUFRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3S/c1-26-17-9-4-12(10-16(17)21)18-14(7-8-15(20)19(18)22)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25).
What are the key properties of 4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 393.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 44394272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).