6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide

C17H17F2N3O4S — CID 167882154

IUPAC6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)C(C)c2ccc(F)cc2F)nnc1C1CC1
InChIInChI=1S/C17H17F2N3O4S/c1-9(12-6-5-11(18)7-13(12)19)27(24,25)22-17(23)14-8-15(26-2)16(21-20-14)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,22,23)
InChIKeyLPEGGXJFGBQUFV-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.46
Rot. Bonds6

About 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide

6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide (PubChem CID 167882154) has the molecular formula C17H17F2N3O4S and a molecular weight of 397.40 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
PubChem CID167882154
Molecular FormulaC17H17F2N3O4S
Molecular Weight397.40 g/mol
Exact Mass397.09
IUPAC Name6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)C(C)c2ccc(F)cc2F)nnc1C1CC1
InChIInChI=1S/C17H17F2N3O4S/c1-9(12-6-5-11(18)7-13(12)19)27(24,25)22-17(23)14-8-15(26-2)16(21-20-14)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,22,23)
InChIKeyLPEGGXJFGBQUFV-UHFFFAOYSA-N
XLogP2.46
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide
CID 167876172
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-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide
CID 167893554
N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167745234
N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 166350578
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 47032164
1-[(2,4-difluorophenyl)-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4260920
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939
N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 51150413
3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
CID 154795855
N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51150363

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide (CID 167882154) is 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)C(C)c2ccc(F)cc2F)nnc1C1CC1.
What is the InChIKey of 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide?
The InChIKey is LPEGGXJFGBQUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4S/c1-9(12-6-5-11(18)7-13(12)19)27(24,25)22-17(23)14-8-15(26-2)16(21-20-14)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide?
6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 167882154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).