N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide

C19H17F2N3O4S — CID 17404809

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17F2N3O4S/c1-2-11-24-18(26)15-6-4-3-5-14(15)16(23-24)17(25)22-12-7-9-13(10-8-12)29(27,28)19(20)21/h3-10,19H,2,11H2,1H3,(H,22,25)
InChIKeyHLFRHHWCYAUCBU-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.06
Rot. Bonds6

About N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide

N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 17404809) has the molecular formula C19H17F2N3O4S and a molecular weight of 421.43 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID17404809
Molecular FormulaC19H17F2N3O4S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17F2N3O4S/c1-2-11-24-18(26)15-6-4-3-5-14(15)16(23-24)17(25)22-12-7-9-13(10-8-12)29(27,28)19(20)21/h3-10,19H,2,11H2,1H3,(H,22,25)
InChIKeyHLFRHHWCYAUCBU-UHFFFAOYSA-N
XLogP3.06
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17398748
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 24636564
N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 26712081
4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 2552458
N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 3673937
N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55548029
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide
CID 17406671
4-oxo-3-pentyl-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
CID 7957140
3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 8698562
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide (CID 17404809) is N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2c1=O.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is HLFRHHWCYAUCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4S/c1-2-11-24-18(26)15-6-4-3-5-14(15)16(23-24)17(25)22-12-7-9-13(10-8-12)29(27,28)19(20)21/h3-10,19H,2,11H2,1H3,(H,22,25).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 17404809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).