N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide

C12H9ClFNO3S — CID 874861

IUPACN-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H
InChIKeyPPGMDHPWICKRAI-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.99
Rot. Bonds3

About N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide

N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 874861) has the molecular formula C12H9ClFNO3S and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID874861
Molecular FormulaC12H9ClFNO3S
Molecular Weight301.73 g/mol
Exact Mass301.00
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H
InChIKeyPPGMDHPWICKRAI-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.99
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
4-chloro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 682167
N-(3,5-Dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 103960
N-(3,5-Dichloro-4-hydroxy-phenyl)-4-methyl-benzenesulfonamide
CID 835029
N-(3-chloro-4-hydroxy-5-methylphenyl)benzenesulfonamide
CID 693393
N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 693389
3,5-dichloro-N-(3,5-dichlorophenyl)-2-hydroxybenzenesulfonamide
CID 44442234
3,5-dichloro-N-(3,5-difluorophenyl)-2-hydroxybenzenesulfonamide
CID 44442236
4-tert-butyl-N-(3-chloro-4-hydroxyphenyl)benzenesulfonamide
CID 754027
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 787157
4-Amino-2,6-dichlorophenol;4-aminophenol
CID 53325335

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide (CID 874861) is N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is PPGMDHPWICKRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H.
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide?
N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 301.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 874861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).