N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide

C13H13ClN2O4S — CID 104821363

IUPACN-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)c(OC)c1
InChIInChI=1S/C13H13ClN2O4S/c1-19-9-6-7-11(10(8-9)20-2)21(17,18)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyQYFNEEHYUKZPJO-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.55
Rot. Bonds5

About N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide

N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 104821363) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID104821363
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC NameN-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)c(OC)c1
InChIInChI=1S/C13H13ClN2O4S/c1-19-9-6-7-11(10(8-9)20-2)21(17,18)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyQYFNEEHYUKZPJO-UHFFFAOYSA-N
XLogP2.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
N-(4-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821777
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113456965
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide (CID 104821363) is N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)c(OC)c1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is QYFNEEHYUKZPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-19-9-6-7-11(10(8-9)20-2)21(17,18)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 328.78 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 104821363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).