6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide

C17H19N3O4S — CID 167770853

IUPAC6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2c(C)cccc2C)nnc1C1CC1
InChIInChI=1S/C17H19N3O4S/c1-10-5-4-6-11(2)16(10)25(22,23)20-17(21)13-9-14(24-3)15(19-18-13)12-7-8-12/h4-6,9,12H,7-8H2,1-3H3,(H,20,21)
InChIKeyUIKWYSBUXVHRDA-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.10
Rot. Bonds5

About 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide

6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide (PubChem CID 167770853) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide
PubChem CID167770853
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2c(C)cccc2C)nnc1C1CC1
InChIInChI=1S/C17H19N3O4S/c1-10-5-4-6-11(2)16(10)25(22,23)20-17(21)13-9-14(24-3)15(19-18-13)12-7-8-12/h4-6,9,12H,7-8H2,1-3H3,(H,20,21)
InChIKeyUIKWYSBUXVHRDA-UHFFFAOYSA-N
XLogP2.10
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide
CID 167893554
N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167943272
N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167816660
N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 166350578
6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide
CID 167876172
N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167983030
N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167745234
6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
CID 167989811
6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide
CID 167963220
6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
CID 167882154
6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
CID 23002405
3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide
CID 56827654

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide (CID 167770853) is 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)c2c(C)cccc2C)nnc1C1CC1.
What is the InChIKey of 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide?
The InChIKey is UIKWYSBUXVHRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-10-5-4-6-11(2)16(10)25(22,23)20-17(21)13-9-14(24-3)15(19-18-13)12-7-8-12/h4-6,9,12H,7-8H2,1-3H3,(H,20,21).
What are the key properties of 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide?
6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 167770853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).