4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide

C16H13N3O5S — CID 169336206

IUPAC4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cnc(NS(=O)(=O)c2ccc(-c3ccc(C=O)o3)cc2)nc1
InChIInChI=1S/C16H13N3O5S/c1-23-13-8-17-16(18-9-13)19-25(21,22)14-5-2-11(3-6-14)15-7-4-12(10-20)24-15/h2-10H,1H3,(H,17,18,19)
InChIKeyYFAWHIIQILOZLT-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.36
Rot. Bonds6

About 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide

4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide (PubChem CID 169336206) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
PubChem CID169336206
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cnc(NS(=O)(=O)c2ccc(-c3ccc(C=O)o3)cc2)nc1
InChIInChI=1S/C16H13N3O5S/c1-23-13-8-17-16(18-9-13)19-25(21,22)14-5-2-11(3-6-14)15-7-4-12(10-20)24-15/h2-10H,1H3,(H,17,18,19)
InChIKeyYFAWHIIQILOZLT-UHFFFAOYSA-N
XLogP2.36
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide
CID 169336208
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide
CID 91679893
N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide
CID 169332767
4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide
CID 169334601
2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 132531856
4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 169334164
4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
CID 46782959
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298
N-(5-methoxypyrimidin-2-yl)methanesulfonamide
CID 130651908
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958814
5-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 91679909

Frequently Asked Questions

What is the IUPAC name of 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide (CID 169336206) is 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide is COc1cnc(NS(=O)(=O)c2ccc(-c3ccc(C=O)o3)cc2)nc1.
What is the InChIKey of 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
The InChIKey is YFAWHIIQILOZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S/c1-23-13-8-17-16(18-9-13)19-25(21,22)14-5-2-11(3-6-14)15-7-4-12(10-20)24-15/h2-10H,1H3,(H,17,18,19).
What are the key properties of 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide has a molecular weight of 359.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 169336206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).