N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide

C22H17FN4O5S — CID 2496757

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O5S/c1-32-19-11-8-14(12-18(19)27-33(30,31)15-9-6-13(23)7-10-15)24-22(29)20-16-4-2-3-5-17(16)21(28)26-25-20/h2-12,27H,1H3,(H,24,29)(H,26,28)
InChIKeyJGGDEGCTALWKRC-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.12
Rot. Bonds6

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 2496757) has the molecular formula C22H17FN4O5S and a molecular weight of 468.47 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID2496757
Molecular FormulaC22H17FN4O5S
Molecular Weight468.47 g/mol
Exact Mass468.09
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O5S/c1-32-19-11-8-14(12-18(19)27-33(30,31)15-9-6-13(23)7-10-15)24-22(29)20-16-4-2-3-5-17(16)21(28)26-25-20/h2-12,27H,1H3,(H,24,29)(H,26,28)
InChIKeyJGGDEGCTALWKRC-UHFFFAOYSA-N
XLogP3.12
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4007249
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17422707
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 31801001
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 2496757) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide is COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is JGGDEGCTALWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O5S/c1-32-19-11-8-14(12-18(19)27-33(30,31)15-9-6-13(23)7-10-15)24-22(29)20-16-4-2-3-5-17(16)21(28)26-25-20/h2-12,27H,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 468.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 2496757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).