4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide

C28H20FNO4S — CID 57384262

IUPAC4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccc(F)cc1
InChIInChI=1S/C28H20FNO4S/c29-22-9-11-25(12-10-22)35(33,34)30-23-5-1-4-21(16-23)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,30-32H
InChIKeyMXENEKOPHDKRPJ-UHFFFAOYSA-N
MW485.54 g/mol
LogP6.52
Rot. Bonds5

About 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide

4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (PubChem CID 57384262) has the molecular formula C28H20FNO4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
PubChem CID57384262
Molecular FormulaC28H20FNO4S
Molecular Weight485.54 g/mol
Exact Mass485.11
IUPAC Name4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccc(F)cc1
InChIInChI=1S/C28H20FNO4S/c29-22-9-11-25(12-10-22)35(33,34)30-23-5-1-4-21(16-23)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,30-32H
InChIKeyMXENEKOPHDKRPJ-UHFFFAOYSA-N
XLogP6.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide
CID 25073246
3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid
CID 25069442
6-(3-hydroxyphenyl)-1-pyridin-3-ylnaphthalen-2-ol
CID 24970356
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46375053
N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
CID 25037495
5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688108
4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
CID 110454372
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
6-(3-hydroxyphenyl)-1-[4-(methylamino)phenyl]naphthalen-2-ol;4-oxobutanoic acid
CID 145481415

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (CID 57384262) is 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The InChIKey is MXENEKOPHDKRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FNO4S/c29-22-9-11-25(12-10-22)35(33,34)30-23-5-1-4-21(16-23)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,30-32H.
What are the key properties of 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide has a molecular weight of 485.54 g/mol, XLogP of 6.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 57384262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).