6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide

C13H13ClN2O3S — CID 47298745

IUPAC6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)c(C)c1O
InChIInChI=1S/C13H13ClN2O3S/c1-8-3-5-11(9(2)13(8)17)16-20(18,19)10-4-6-12(14)15-7-10/h3-7,16-17H,1-2H3
InChIKeyASZPNQDTVOIQRN-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.86
Rot. Bonds3

About 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide

6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide (PubChem CID 47298745) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
PubChem CID47298745
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)c(C)c1O
InChIInChI=1S/C13H13ClN2O3S/c1-8-3-5-11(9(2)13(8)17)16-20(18,19)10-4-6-12(14)15-7-10/h3-7,16-17H,1-2H3
InChIKeyASZPNQDTVOIQRN-UHFFFAOYSA-N
XLogP2.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-3-pyridinyl)sulfonylamino]-4-methylbenzoate
CID 7940712
6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 4729843
6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 47104374
N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 49188729
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 60534987
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61053645
N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093676
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide (CID 47298745) is 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)c(C)c1O.
What is the InChIKey of 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide?
The InChIKey is ASZPNQDTVOIQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-8-3-5-11(9(2)13(8)17)16-20(18,19)10-4-6-12(14)15-7-10/h3-7,16-17H,1-2H3.
What are the key properties of 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide?
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 47298745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).