2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide

C17H17N3O3S — CID 46833539

IUPAC2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(C)cc(-n3cccc3)c2)ccn1
InChIInChI=1S/C17H17N3O3S/c1-13-9-14(11-15(10-13)20-7-3-4-8-20)19-24(21,22)16-5-6-18-17(12-16)23-2/h3-12,19H,1-2H3
InChIKeyWMFKDVUSCSZWGH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.99
Rot. Bonds5

About 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide

2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide (PubChem CID 46833539) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide
PubChem CID46833539
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(C)cc(-n3cccc3)c2)ccn1
InChIInChI=1S/C17H17N3O3S/c1-13-9-14(11-15(10-13)20-7-3-4-8-20)19-24(21,22)16-5-6-18-17(12-16)23-2/h3-12,19H,1-2H3
InChIKeyWMFKDVUSCSZWGH-UHFFFAOYSA-N
XLogP2.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051
2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 110726303
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide
CID 67283740
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 107584202
2-hydrazinyl-N-(6-methoxy-3-pyridinyl)pyridine-4-sulfonamide
CID 61004702
2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083
4-chloro-N-(3,5-dimethylphenyl)-3-methoxybenzenesulfonamide
CID 15944074
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide
CID 46831488
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide (CID 46833539) is 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide is COc1cc(S(=O)(=O)Nc2cc(C)cc(-n3cccc3)c2)ccn1.
What is the InChIKey of 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide?
The InChIKey is WMFKDVUSCSZWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-13-9-14(11-15(10-13)20-7-3-4-8-20)19-24(21,22)16-5-6-18-17(12-16)23-2/h3-12,19H,1-2H3.
What are the key properties of 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide?
2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methyl-5-pyrrol-1-ylphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 46833539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).