4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

C19H14F3NO3S — CID 10385880

IUPAC4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C19H14F3NO3S/c1-26-19-7-4-12(8-18(19)22)15-10-17(21)16(20)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyXYPOZNYKHAQGHD-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.09
Rot. Bonds4

About 4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 10385880) has the molecular formula C19H14F3NO3S and a molecular weight of 393.39 g/mol. Its IUPAC name is 4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID10385880
Molecular FormulaC19H14F3NO3S
Molecular Weight393.39 g/mol
Exact Mass393.06
IUPAC Name4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C19H14F3NO3S/c1-26-19-7-4-12(8-18(19)22)15-10-17(21)16(20)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyXYPOZNYKHAQGHD-UHFFFAOYSA-N
XLogP4.09
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10784411
CID 10784411
CID 9902810
CID 9902810
CID 10179720
CID 10179720
CID 10269175
CID 10269175
CID 10524370
CID 10524370
CID 10548520
CID 10548520
CID 155523492
CID 155523492
CID 10592466
CID 10592466
CID 10621294
CID 10621294
CID 10643086
CID 10643086
CID 10645180
CID 10645180
CID 10668927
CID 10668927

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (CID 10385880) is 4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is XYPOZNYKHAQGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3S/c1-26-19-7-4-12(8-18(19)22)15-10-17(21)16(20)9-14(15)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-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 393.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10385880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).