N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C17H15FN4O4S — CID 3905718

IUPACN-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)=NN1
InChIInChI=1S/C17H15FN4O4S/c18-13-6-1-2-7-14(13)22-27(25,26)12-5-3-4-11(10-12)19-17(24)15-8-9-16(23)21-20-15/h1-7,10,22H,8-9H2,(H,19,24)(H,21,23)
InChIKeyXEAQXSHNDYDNFP-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.83
Rot. Bonds5

About N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 3905718) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID3905718
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC NameN-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)=NN1
InChIInChI=1S/C17H15FN4O4S/c18-13-6-1-2-7-14(13)22-27(25,26)12-5-3-4-11(10-12)19-17(24)15-8-9-16(23)21-20-15/h1-7,10,22H,8-9H2,(H,19,24)(H,21,23)
InChIKeyXEAQXSHNDYDNFP-UHFFFAOYSA-N
XLogP1.83
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 3905718) is N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)=NN1.
What is the InChIKey of N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is XEAQXSHNDYDNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c18-13-6-1-2-7-14(13)22-27(25,26)12-5-3-4-11(10-12)19-17(24)15-8-9-16(23)21-20-15/h1-7,10,22H,8-9H2,(H,19,24)(H,21,23).
What are the key properties of N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 3905718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).