N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide

C16H15N3O4S — CID 20927054

IUPACN-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1C
InChIInChI=1S/C16H15N3O4S/c1-10-3-4-12(9-11(10)2)19-24(21,22)16-8-6-14(23-16)13-5-7-15(20)18-17-13/h3-9,19H,1-2H3,(H,18,20)
InChIKeyMFWVQKAKMALVAO-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.45
Rot. Bonds4

About N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide

N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide (PubChem CID 20927054) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
PubChem CID20927054
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1C
InChIInChI=1S/C16H15N3O4S/c1-10-3-4-12(9-11(10)2)19-24(21,22)16-8-6-14(23-16)13-5-7-15(20)18-17-13/h3-9,19H,1-2H3,(H,18,20)
InChIKeyMFWVQKAKMALVAO-UHFFFAOYSA-N
XLogP2.45
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329422
N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927031
N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927097
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927006
N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329425
N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085828
N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923062
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)furan-2-sulfonamide
CID 53175598
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide
CID 50784621
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 110732709

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide (CID 20927054) is N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The InChIKey is MFWVQKAKMALVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10-3-4-12(9-11(10)2)19-24(21,22)16-8-6-14(23-16)13-5-7-15(20)18-17-13/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 20927054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).