N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide

C12H9F2NO3S — CID 25113729

IUPACN-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)c(O)c(F)c1)c1ccccc1
InChIInChI=1S/C12H9F2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H
InChIKeyYAWFBTGILXVPSB-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.47
Rot. Bonds3

About N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide

N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide (PubChem CID 25113729) has the molecular formula C12H9F2NO3S and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide
PubChem CID25113729
Molecular FormulaC12H9F2NO3S
Molecular Weight285.27 g/mol
Exact Mass285.03
IUPAC NameN-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)c(O)c(F)c1)c1ccccc1
InChIInChI=1S/C12H9F2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H
InChIKeyYAWFBTGILXVPSB-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.47
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

Batabulin
CID 216324
N-(4-Hydroxyphenyl)benzenesulfonamide
CID 79622
4-((4-Hydroxyphenyl)diazenyl)benzenesulfonamide
CID 404195
N-(4-hydroxyphenyl)methanesulfonamide
CID 4483147
3-((4-Hydroxyphenyl)diazenyl)benzenesulfonamide
CID 135932620
4-(2-(4-Hydroxyphenyl)diazenyl)benzenesulfonic acid
CID 17501
N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 846970
2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3868683
Benzenesulfonamide, 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)-
CID 10473251
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 56662184
4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 341399

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide (CID 25113729) is N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)c(O)c(F)c1)c1ccccc1.
What is the InChIKey of N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is YAWFBTGILXVPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H.
What are the key properties of N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide?
N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 285.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 25113729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).