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

C12H13N3O3S2 — CID 53135082

IUPACN-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)NCC3CC3)c2)n[nH]1
InChIInChI=1S/C12H13N3O3S2/c16-11-4-3-10(14-15-11)9-5-12(19-7-9)20(17,18)13-6-8-1-2-8/h3-5,7-8,13H,1-2,6H2,(H,15,16)
InChIKeyBRKLSMMHCLHQOU-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.19
Rot. Bonds5

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

N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53135082) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53135082
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC NameN-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)NCC3CC3)c2)n[nH]1
InChIInChI=1S/C12H13N3O3S2/c16-11-4-3-10(14-15-11)9-5-12(19-7-9)20(17,18)13-6-8-1-2-8/h3-5,7-8,13H,1-2,6H2,(H,15,16)
InChIKeyBRKLSMMHCLHQOU-UHFFFAOYSA-N
XLogP1.19
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134880
N-[(3-methylphenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134955
N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134876
N-[(2-chloro-4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135075
N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134871
N-(2,5-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134865
N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134936
N-(3-chloro-4-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134934
3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one
CID 95092750
3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
CID 106518542
N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92723328
3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one
CID 53134895

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 53135082) is N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2csc(S(=O)(=O)NCC3CC3)c2)n[nH]1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is BRKLSMMHCLHQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c16-11-4-3-10(14-15-11)9-5-12(19-7-9)20(17,18)13-6-8-1-2-8/h3-5,7-8,13H,1-2,6H2,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 311.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53135082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).