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6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide

C17H18FN3O4S — CID 167989811

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)CCc2cccc(F)c2)nnc1C1CC1
InChIInChI=1S/C17H18FN3O4S/c1-25-15-10-14(19-20-16(15)12-5-6-12)17(22)21-26(23,24)8-7-11-3-2-4-13(18)9-11/h2-4,9-10,12H,5-8H2,1H3,(H,21,22)
InChIKeyOUDHBSNEZDRTCJ-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.80
Rot. Bonds7

About 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide

6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide (PubChem CID 167989811) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
PubChem CID167989811
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)CCc2cccc(F)c2)nnc1C1CC1
InChIInChI=1S/C17H18FN3O4S/c1-25-15-10-14(19-20-16(15)12-5-6-12)17(22)21-26(23,24)8-7-11-3-2-4-13(18)9-11/h2-4,9-10,12H,5-8H2,1H3,(H,21,22)
InChIKeyOUDHBSNEZDRTCJ-UHFFFAOYSA-N
XLogP1.80
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide (CID 167989811) is 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)CCc2cccc(F)c2)nnc1C1CC1.
What is the InChIKey of 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide?
The InChIKey is OUDHBSNEZDRTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-25-15-10-14(19-20-16(15)12-5-6-12)17(22)21-26(23,24)8-7-11-3-2-4-13(18)9-11/h2-4,9-10,12H,5-8H2,1H3,(H,21,22).
What are the key properties of 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide?
6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 167989811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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