5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide

C13H15N3O3S — CID 82222818

IUPAC5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cncc(N)c2)cc1
InChIInChI=1S/C13H15N3O3S/c1-19-12-4-2-10(3-5-12)7-16-20(17,18)13-6-11(14)8-15-9-13/h2-6,8-9,16H,7,14H2,1H3
InChIKeyRIWLOCBXVDMDGT-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.15
Rot. Bonds5

About 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide

5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 82222818) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
PubChem CID82222818
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cncc(N)c2)cc1
InChIInChI=1S/C13H15N3O3S/c1-19-12-4-2-10(3-5-12)7-16-20(17,18)13-6-11(14)8-15-9-13/h2-6,8-9,16H,7,14H2,1H3
InChIKeyRIWLOCBXVDMDGT-UHFFFAOYSA-N
XLogP1.15
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 110851643
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 6470938
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide (CID 82222818) is 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide is COc1ccc(CNS(=O)(=O)c2cncc(N)c2)cc1.
What is the InChIKey of 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is RIWLOCBXVDMDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-19-12-4-2-10(3-5-12)7-16-20(17,18)13-6-11(14)8-15-9-13/h2-6,8-9,16H,7,14H2,1H3.
What are the key properties of 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide?
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 82222818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).