6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide

C16H17N3O4S — CID 167893554

IUPAC6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2cccc(C)c2)nnc1C1CC1
InChIInChI=1S/C16H17N3O4S/c1-10-4-3-5-12(8-10)24(21,22)19-16(20)13-9-14(23-2)15(18-17-13)11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,19,20)
InChIKeyQXICKKSRWUNHFT-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.79
Rot. Bonds5

About 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide

6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide (PubChem CID 167893554) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide
PubChem CID167893554
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2cccc(C)c2)nnc1C1CC1
InChIInChI=1S/C16H17N3O4S/c1-10-4-3-5-12(8-10)24(21,22)19-16(20)13-9-14(23-2)15(18-17-13)11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,19,20)
InChIKeyQXICKKSRWUNHFT-UHFFFAOYSA-N
XLogP1.79
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide
CID 167770853
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-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide
CID 167963220
(3-methylphenyl)sulfonylurea
CID 46224904
6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
CID 167882154
3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide
CID 56827654
N-(3-methylphenyl)sulfonylfuran-2-carboxamide
CID 47130299
2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide
CID 47130286

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide (CID 167893554) is 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)c2cccc(C)c2)nnc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide?
The InChIKey is QXICKKSRWUNHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10-4-3-5-12(8-10)24(21,22)19-16(20)13-9-14(23-2)15(18-17-13)11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide?
6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide is sourced from PubChem (CID 167893554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).