N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide

C20H19N2O4S+ — CID 170920269

IUPACN-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C=Cc2cc[n+](O)cc2)cc1
InChIInChI=1S/C20H18N2O4S/c1-26-18-8-10-19(11-9-18)27(24,25)21-20-5-3-2-4-17(20)7-6-16-12-14-22(23)15-13-16/h2-15,23H,1H3/p+1
InChIKeyMYEJOKLXXLVMPR-UHFFFAOYSA-O
MW383.45 g/mol
LogP3.19
Rot. Bonds6

About N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide

N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 170920269) has the molecular formula C20H19N2O4S+ and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
PubChem CID170920269
Molecular FormulaC20H19N2O4S+
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C=Cc2cc[n+](O)cc2)cc1
InChIInChI=1S/C20H18N2O4S/c1-26-18-8-10-19(11-9-18)27(24,25)21-20-5-3-2-4-17(20)7-6-16-12-14-22(23)15-13-16/h2-15,23H,1H3/p+1
InChIKeyMYEJOKLXXLVMPR-UHFFFAOYSA-O
XLogP3.19
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(2-pyrazin-2-ylethenyl)phenyl]benzenesulfonamide
CID 54445634
4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide
CID 54397689
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
CID 139895054
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 121304384
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-[2-[2-(1-hydroxyethyl)phenyl]phenyl]-4-methoxybenzenesulfonamide
CID 69255044
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide (CID 170920269) is N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2C=Cc2cc[n+](O)cc2)cc1.
What is the InChIKey of N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is MYEJOKLXXLVMPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N2O4S/c1-26-18-8-10-19(11-9-18)27(24,25)21-20-5-3-2-4-17(20)7-6-16-12-14-22(23)15-13-16/h2-15,23H,1H3/p+1.
What are the key properties of N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?
N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 383.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 170920269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).