3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide

C11H7Cl3N2O3S — CID 74227839

IUPAC3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H7Cl3N2O3S/c12-6-3-8(13)11(17)9(4-6)20(18,19)16-7-1-2-10(14)15-5-7/h1-5,16-17H
InChIKeyYOYFCCVSVHHFCO-UHFFFAOYSA-N
MW353.61 g/mol
LogP3.55
Rot. Bonds3

About 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide

3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide (PubChem CID 74227839) has the molecular formula C11H7Cl3N2O3S and a molecular weight of 353.61 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
PubChem CID74227839
Molecular FormulaC11H7Cl3N2O3S
Molecular Weight353.61 g/mol
Exact Mass351.92
IUPAC Name3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H7Cl3N2O3S/c12-6-3-8(13)11(17)9(4-6)20(18,19)16-7-1-2-10(14)15-5-7/h1-5,16-17H
InChIKeyYOYFCCVSVHHFCO-UHFFFAOYSA-N
XLogP3.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.61
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide
CID 3751185
3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide
CID 146600973
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
3,5-dichloro-2-hydroxy-N-[4-[(E)-3-oxobut-1-enyl]phenyl]benzenesulfonamide
CID 69281379
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-hydroxybenzenesulfonamide
CID 74228383
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770
3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
CID 22763232
N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide
CID 166948538
N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide
CID 103775541
N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3697865

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide (CID 74227839) is 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)nc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide?
The InChIKey is YOYFCCVSVHHFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O3S/c12-6-3-8(13)11(17)9(4-6)20(18,19)16-7-1-2-10(14)15-5-7/h1-5,16-17H.
What are the key properties of 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide has a molecular weight of 353.61 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 74227839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).