4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide

C19H16FNO4S — CID 73347958

IUPAC4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1cccc(-c2cccc(O)c2)c1)S(=O)(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C19H16FNO4S/c1-21(26(24,25)17-8-9-18(20)19(23)12-17)15-6-2-4-13(10-15)14-5-3-7-16(22)11-14/h2-12,22-23H,1H3
InChIKeyIHWGKAPGEIXWAJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.73
Rot. Bonds4

About 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide

4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 73347958) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID73347958
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1cccc(-c2cccc(O)c2)c1)S(=O)(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C19H16FNO4S/c1-21(26(24,25)17-8-9-18(20)19(23)12-17)15-6-2-4-13(10-15)14-5-3-7-16(22)11-14/h2-12,22-23H,1H3
InChIKeyIHWGKAPGEIXWAJ-UHFFFAOYSA-N
XLogP3.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 62969390
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734208
3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733489
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223865
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 75436098
N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99695445
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752600
5-amino-3-bromo-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733480

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide (CID 73347958) is 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide is CN(c1cccc(-c2cccc(O)c2)c1)S(=O)(=O)c1ccc(F)c(O)c1.
What is the InChIKey of 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is IHWGKAPGEIXWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-21(26(24,25)17-8-9-18(20)19(23)12-17)15-6-2-4-13(10-15)14-5-3-7-16(22)11-14/h2-12,22-23H,1H3.
What are the key properties of 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide?
4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 73347958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).