N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide

C12H11ClN2O3S — CID 113456951

IUPACN-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)cc1
InChIInChI=1S/C12H11ClN2O3S/c1-18-9-5-7-10(8-6-9)19(16,17)15-12-4-2-3-11(13)14-12/h2-8H,1H3,(H,14,15)
InChIKeyLUDIWZWTSAJCMU-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.54
Rot. Bonds4

About N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide

N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide (PubChem CID 113456951) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
PubChem CID113456951
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC NameN-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)cc1
InChIInChI=1S/C12H11ClN2O3S/c1-18-9-5-7-10(8-6-9)19(16,17)15-12-4-2-3-11(13)14-12/h2-8H,1H3,(H,14,15)
InChIKeyLUDIWZWTSAJCMU-UHFFFAOYSA-N
XLogP2.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxybenzenesulfonamide
CID 104821273
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821363
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
methyl 3-[(6-chloro-2-pyridinyl)sulfamoyl]benzoate
CID 104821299
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide (CID 113456951) is N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)cc1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The InChIKey is LUDIWZWTSAJCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-18-9-5-7-10(8-6-9)19(16,17)15-12-4-2-3-11(13)14-12/h2-8H,1H3,(H,14,15).
What are the key properties of N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113456951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).