N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C15H12ClN3O4S2 — CID 20923062

IUPACN-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1Cl
InChIInChI=1S/C15H12ClN3O4S2/c1-23-12-4-2-9(8-10(12)16)19-25(21,22)15-7-5-13(24-15)11-3-6-14(20)18-17-11/h2-8,19H,1H3,(H,18,20)
InChIKeyWYMSFVPGWQNQCA-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.96
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923062) has the molecular formula C15H12ClN3O4S2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923062
Molecular FormulaC15H12ClN3O4S2
Molecular Weight397.87 g/mol
Exact Mass397.00
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1Cl
InChIInChI=1S/C15H12ClN3O4S2/c1-23-12-4-2-9(8-10(12)16)19-25(21,22)15-7-5-13(24-15)11-3-6-14(20)18-17-11/h2-8,19H,1H3,(H,18,20)
InChIKeyWYMSFVPGWQNQCA-UHFFFAOYSA-N
XLogP2.96
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 46280127
N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923047
N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947510
N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53054071
N-(3-chloro-4-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134934
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947584
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134871
N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 50842686
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
CID 106048197
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923062) is N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is WYMSFVPGWQNQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S2/c1-23-12-4-2-9(8-10(12)16)19-25(21,22)15-7-5-13(24-15)11-3-6-14(20)18-17-11/h2-8,19H,1H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 397.87 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).