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

C15H13N3O4S2 — CID 53134871

IUPACN-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)cc1
InChIInChI=1S/C15H13N3O4S2/c1-22-12-4-2-11(3-5-12)18-24(20,21)15-8-10(9-23-15)13-6-7-14(19)17-16-13/h2-9,18H,1H3,(H,17,19)
InChIKeyZAASJHQEUSRSDX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.31
Rot. Bonds5

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

N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134871) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134871
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC NameN-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)cc1
InChIInChI=1S/C15H13N3O4S2/c1-22-12-4-2-11(3-5-12)18-24(20,21)15-8-10(9-23-15)13-6-7-14(19)17-16-13/h2-9,18H,1H3,(H,17,19)
InChIKeyZAASJHQEUSRSDX-UHFFFAOYSA-N
XLogP2.31
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134962
N-(2,5-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134865
N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135082
N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134880
N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127489
N-[(3-methylphenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134955
N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53054071
N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923062
3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
CID 106518542
4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
CID 23589786
N-[(2-chloro-4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135075
3-(4-methoxyanilino)-1H-pyridazin-6-one
CID 54765726

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 53134871) is N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is ZAASJHQEUSRSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-22-12-4-2-11(3-5-12)18-24(20,21)15-8-10(9-23-15)13-6-7-14(19)17-16-13/h2-9,18H,1H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 363.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).