N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C15H13N3O3S3 — CID 20923048

IUPACN-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1
InChIInChI=1S/C15H13N3O3S3/c1-22-11-4-2-3-10(9-11)18-24(20,21)15-8-6-13(23-15)12-5-7-14(19)17-16-12/h2-9,18H,1H3,(H,17,19)
InChIKeyRQBIIGQMFJGGFK-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.02
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923048) has the molecular formula C15H13N3O3S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923048
Molecular FormulaC15H13N3O3S3
Molecular Weight379.49 g/mol
Exact Mass379.01
IUPAC NameN-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1
InChIInChI=1S/C15H13N3O3S3/c1-22-11-4-2-3-10(9-11)18-24(20,21)15-8-6-13(23-15)12-5-7-14(19)17-16-12/h2-9,18H,1H3,(H,17,19)
InChIKeyRQBIIGQMFJGGFK-UHFFFAOYSA-N
XLogP3.02
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 20969996
CID 20969996
CID 24789935
CID 24789935
CID 45106670
CID 45106670
CID 20923017
CID 20923017
CID 20923059
CID 20923059
CID 20923061
CID 20923061
CID 20923065
CID 20923065
CID 20939816
CID 20939816
CID 20923010
CID 20923010
CID 20939795
CID 20939795
CID 46280110
CID 46280110
CID 53134865
CID 53134865

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923048) is N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CSc1cccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is RQBIIGQMFJGGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S3/c1-22-11-4-2-3-10(9-11)18-24(20,21)15-8-6-13(23-15)12-5-7-14(19)17-16-12/h2-9,18H,1H3,(H,17,19).
What are the key properties of N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 379.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).