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

4-[6-[4-Methoxyphenyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 10784411
2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9902810
4-[2-(3-Chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10179720
4-[2-(3-Fluoro-4-methoxy-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10269175
2''-Benzo[1,3]dioxol-5-yl-4'',5''-difluoro-biphenyl-4-sulfonic acid amide
CID 10524370
1,2-Difluoro-4-(3-fluoro-4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10548520
4-[(4-Methoxyphenyl)tellanylmethyl]benzenesulfonamide
CID 155523492
4-(2-(4-Methoxyphenyl)cyclopent-1-enyl)benzenesulfonamide
CID 10592466
4-[2-(3,4-Dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10621294
4-[6-(3-Fluoro-4-methoxy-phenyl)-spiro[2.4]hept-5-en-5-yl]-benzenesulfonamide
CID 10643086
4-[6-[4-(Trifluoromethoxy)phenyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 10645180
1,2-Difluoro-4-(3,4-dimethoxypheny)-5-[4(methylsulfonyl)phenyl]benzene
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).