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

C11H7Cl2FN2O3S — CID 103088425

IUPAC2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncccc1O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H7Cl2FN2O3S/c12-6-3-4-8(9(13)10(6)14)20(18,19)16-11-7(17)2-1-5-15-11/h1-5,17H,(H,15,16)
InChIKeyCRBSTDMZWJKHFH-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.03
Rot. Bonds3

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

2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide (PubChem CID 103088425) has the molecular formula C11H7Cl2FN2O3S and a molecular weight of 337.16 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide
PubChem CID103088425
Molecular FormulaC11H7Cl2FN2O3S
Molecular Weight337.16 g/mol
Exact Mass335.95
IUPAC Name2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncccc1O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H7Cl2FN2O3S/c12-6-3-4-8(9(13)10(6)14)20(18,19)16-11-7(17)2-1-5-15-11/h1-5,17H,(H,15,16)
InChIKeyCRBSTDMZWJKHFH-UHFFFAOYSA-N
XLogP3.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103088374
N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103223782
2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103088377
4-fluoro-N-(3-hydroxy-2-pyridinyl)-2,6-dimethylbenzenesulfonamide
CID 107327732
N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107640855
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
2,3-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 59168167
N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088310
2,4-dichloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 103089625
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
2,4-dichloro-3-fluorobenzenesulfonyl chloride
CID 56604728

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide (CID 103088425) is 2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ncccc1O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide?
The InChIKey is CRBSTDMZWJKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O3S/c12-6-3-4-8(9(13)10(6)14)20(18,19)16-11-7(17)2-1-5-15-11/h1-5,17H,(H,15,16).
What are the key properties of 2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide has a molecular weight of 337.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103088425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).