N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide

C19H20N4O3S — CID 7519314

IUPACN-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide
SMILESCC(C)COc1ccc(-c2ccc(NS(=O)(=O)c3cccnc3)cc2)nn1
InChIInChI=1S/C19H20N4O3S/c1-14(2)13-26-19-10-9-18(21-22-19)15-5-7-16(8-6-15)23-27(24,25)17-4-3-11-20-12-17/h3-12,14,23H,13H2,1-2H3
InChIKeyVKWGKGWAJNHCQB-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.37
Rot. Bonds7

About N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide

N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide (PubChem CID 7519314) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide
PubChem CID7519314
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide
SMILESCC(C)COc1ccc(-c2ccc(NS(=O)(=O)c3cccnc3)cc2)nn1
InChIInChI=1S/C19H20N4O3S/c1-14(2)13-26-19-10-9-18(21-22-19)15-5-7-16(8-6-15)23-27(24,25)17-4-3-11-20-12-17/h3-12,14,23H,13H2,1-2H3
InChIKeyVKWGKGWAJNHCQB-UHFFFAOYSA-N
XLogP3.37
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]thiophene-2-sulfonamide
CID 7524038
N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 43985818
N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865791
4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523124
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
N-(6-phenylpyridazin-3-yl)pyridine-3-sulfonamide
CID 86806095
4-methyl-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-3,5-dinitrobenzenesulfonamide
CID 43985816
N-[4-(4-methyl-3-pyridinyl)phenyl]pyridine-3-sulfonamide
CID 56652325
3-nitro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7524051
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 43985825
N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide
CID 65031220
2,3-dichloro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349149

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide (CID 7519314) is N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide is CC(C)COc1ccc(-c2ccc(NS(=O)(=O)c3cccnc3)cc2)nn1.
What is the InChIKey of N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide?
The InChIKey is VKWGKGWAJNHCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14(2)13-26-19-10-9-18(21-22-19)15-5-7-16(8-6-15)23-27(24,25)17-4-3-11-20-12-17/h3-12,14,23H,13H2,1-2H3.
What are the key properties of N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide?
N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7519314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).