N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide

C12H10FNO4S — CID 163752517

IUPACN-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1cc(O)ccc1O
InChIInChI=1S/C12H10FNO4S/c13-8-2-1-3-9(6-8)14-19(17,18)12-7-10(15)4-5-11(12)16/h1-7,14-16H
InChIKeyLRFDOGYFKCCSES-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.04
Rot. Bonds3

About N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide

N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide (PubChem CID 163752517) has the molecular formula C12H10FNO4S and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide
PubChem CID163752517
Molecular FormulaC12H10FNO4S
Molecular Weight283.28 g/mol
Exact Mass283.03
IUPAC NameN-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1cc(O)ccc1O
InChIInChI=1S/C12H10FNO4S/c13-8-2-1-3-9(6-8)14-19(17,18)12-7-10(15)4-5-11(12)16/h1-7,14-16H
InChIKeyLRFDOGYFKCCSES-UHFFFAOYSA-N
XLogP2.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide (CID 163752517) is N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide is O=S(=O)(Nc1cccc(F)c1)c1cc(O)ccc1O.
What is the InChIKey of N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide?
The InChIKey is LRFDOGYFKCCSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S/c13-8-2-1-3-9(6-8)14-19(17,18)12-7-10(15)4-5-11(12)16/h1-7,14-16H.
What are the key properties of N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide?
N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide has a molecular weight of 283.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,5-dihydroxybenzenesulfonamide is sourced from PubChem (CID 163752517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).