N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide

C18H14FNO3S — CID 56941415

IUPACN-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14FNO3S/c19-17-12-15(21)8-11-18(17)20-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,20-21H
InChIKeyQDMVPSLIHHMNDR-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.00
Rot. Bonds4

About N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide

N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide (PubChem CID 56941415) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide
PubChem CID56941415
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14FNO3S/c19-17-12-15(21)8-11-18(17)20-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,20-21H
InChIKeyQDMVPSLIHHMNDR-UHFFFAOYSA-N
XLogP4.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-Hydroxyphenyl)benzenesulfonamide
CID 79622
N-(4-hydroxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 754032
N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 846970
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098359
N-(2-hydroxyphenyl)-4-biphenylsulfonamide
CID 893823
N-(4-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 674493
N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide
CID 697331
4-ethyl-N-(4-hydroxy-1-naphthyl)benzenesulfonamide
CID 726569
4-fluoro-N-(4-hydroxy-1-naphthyl)benzenesulfonamide
CID 746367
N-(4-hydroxy-5-isopropyl-2-methylphenyl)-4-methylbenzenesulfonamide
CID 747928
2-[(4-Methylphenyl)sulfonyl]-4-{[(4-methylphenyl)sulfonyl]amino}phenol
CID 1271426

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide (CID 56941415) is N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide?
The InChIKey is QDMVPSLIHHMNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c19-17-12-15(21)8-11-18(17)20-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,20-21H.
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide?
N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide has a molecular weight of 343.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 56941415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).