N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide

C15H24N4O4S — CID 126938858

IUPACN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide
SMILESCc1ccc(=O)n(C2COCC2NS(=O)(=O)N2CCCCCC2)n1
InChIInChI=1S/C15H24N4O4S/c1-12-6-7-15(20)19(16-12)14-11-23-10-13(14)17-24(21,22)18-8-4-2-3-5-9-18/h6-7,13-14,17H,2-5,8-11H2,1H3
InChIKeyLBBWXKLAEUCPGJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.20
Rot. Bonds4

About N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide

N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide (PubChem CID 126938858) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide
PubChem CID126938858
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide
SMILESCc1ccc(=O)n(C2COCC2NS(=O)(=O)N2CCCCCC2)n1
InChIInChI=1S/C15H24N4O4S/c1-12-6-7-15(20)19(16-12)14-11-23-10-13(14)17-24(21,22)18-8-4-2-3-5-9-18/h6-7,13-14,17H,2-5,8-11H2,1H3
InChIKeyLBBWXKLAEUCPGJ-UHFFFAOYSA-N
XLogP0.20
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938814
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]furan-2-carboxamide
CID 126938757
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126938917
2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938882
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 126938763
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126938758
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide
CID 126938783
3,5-dimethyl-N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 126940460
1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide
CID 126940083
1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide
CID 126939478
6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one
CID 126857374
6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939094

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide?
The IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide (CID 126938858) is N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide?
The canonical SMILES for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide is Cc1ccc(=O)n(C2COCC2NS(=O)(=O)N2CCCCCC2)n1.
What is the InChIKey of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide?
The InChIKey is LBBWXKLAEUCPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-12-6-7-15(20)19(16-12)14-11-23-10-13(14)17-24(21,22)18-8-4-2-3-5-9-18/h6-7,13-14,17H,2-5,8-11H2,1H3.
What are the key properties of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide?
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide is sourced from PubChem (CID 126938858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).