2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide

C13H10Cl2FNO3S — CID 103088377

IUPAC2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(O)c1
InChIInChI=1S/C13H10Cl2FNO3S/c1-7-2-4-9(10(18)6-7)17-21(19,20)11-5-3-8(14)13(16)12(11)15/h2-6,17-18H,1H3
InChIKeyWHJNNYQFOBRCNF-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.95
Rot. Bonds3

About 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 103088377) has the molecular formula C13H10Cl2FNO3S and a molecular weight of 350.20 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID103088377
Molecular FormulaC13H10Cl2FNO3S
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(O)c1
InChIInChI=1S/C13H10Cl2FNO3S/c1-7-2-4-9(10(18)6-7)17-21(19,20)11-5-3-8(14)13(16)12(11)15/h2-6,17-18H,1H3
InChIKeyWHJNNYQFOBRCNF-UHFFFAOYSA-N
XLogP3.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 82722720
N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107640855
2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103088374
2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide
CID 103088425
4-chloro-N-(2-hydroxy-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 75401780
N-(2-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 43384594
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
CID 81241392
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088310

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide (CID 103088377) is 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(O)c1.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is WHJNNYQFOBRCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO3S/c1-7-2-4-9(10(18)6-7)17-21(19,20)11-5-3-8(14)13(16)12(11)15/h2-6,17-18H,1H3.
What are the key properties of 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 350.20 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 103088377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).