N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide

C17H15N3O6S — CID 169336208

IUPACN-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide
SMILESCOc1ncnc(NS(=O)(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1OC
InChIInChI=1S/C17H15N3O6S/c1-24-15-16(18-10-19-17(15)25-2)20-27(22,23)13-6-3-11(4-7-13)14-8-5-12(9-21)26-14/h3-10H,1-2H3,(H,18,19,20)
InChIKeyDXPJCMJEANBUEF-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.37
Rot. Bonds7

About N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide

N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide (PubChem CID 169336208) has the molecular formula C17H15N3O6S and a molecular weight of 389.39 g/mol. Its IUPAC name is N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide
PubChem CID169336208
Molecular FormulaC17H15N3O6S
Molecular Weight389.39 g/mol
Exact Mass389.07
IUPAC NameN-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide
SMILESCOc1ncnc(NS(=O)(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1OC
InChIInChI=1S/C17H15N3O6S/c1-24-15-16(18-10-19-17(15)25-2)20-27(22,23)13-6-3-11(4-7-13)14-8-5-12(9-21)26-14/h3-10H,1-2H3,(H,18,19,20)
InChIKeyDXPJCMJEANBUEF-UHFFFAOYSA-N
XLogP2.37
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
CID 169336206
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 17134
N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide
CID 133083516
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
4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 169334164
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 169331614
5-[4-[4-(benzenesulfonyl)anilino]-7-methoxyquinazolin-6-yl]furan-2-carbaldehyde;hydrochloride
CID 87510001
N-(5,6-dimethoxypyrimidin-4-yl)-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
CID 135426892
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 135506880
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide?
The IUPAC name of N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide (CID 169336208) is N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide is COc1ncnc(NS(=O)(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1OC.
What is the InChIKey of N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide?
The InChIKey is DXPJCMJEANBUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6S/c1-24-15-16(18-10-19-17(15)25-2)20-27(22,23)13-6-3-11(4-7-13)14-8-5-12(9-21)26-14/h3-10H,1-2H3,(H,18,19,20).
What are the key properties of N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide?
N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide has a molecular weight of 389.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 169336208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).