N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C22H23ClN4O5S — CID 55343028

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc2c1=O
InChIInChI=1S/C22H23ClN4O5S/c1-14(2)27-22(29)17-6-4-3-5-16(17)20(25-27)21(28)24-15-7-8-18(23)19(13-15)33(30,31)26-9-11-32-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)
InChIKeyKHWPQSJOWZSBEG-UHFFFAOYSA-N
MW490.97 g/mol
LogP2.90
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 55343028) has the molecular formula C22H23ClN4O5S and a molecular weight of 490.97 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID55343028
Molecular FormulaC22H23ClN4O5S
Molecular Weight490.97 g/mol
Exact Mass490.11
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc2c1=O
InChIInChI=1S/C22H23ClN4O5S/c1-14(2)27-22(29)17-6-4-3-5-16(17)20(25-27)21(28)24-15-7-8-18(23)19(13-15)33(30,31)26-9-11-32-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)
InChIKeyKHWPQSJOWZSBEG-UHFFFAOYSA-N
XLogP2.90
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
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CID 16539249
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
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4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
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4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684553
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 55343028) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is CC(C)n1nc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc2c1=O.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is KHWPQSJOWZSBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O5S/c1-14(2)27-22(29)17-6-4-3-5-16(17)20(25-27)21(28)24-15-7-8-18(23)19(13-15)33(30,31)26-9-11-32-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H,24,28).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 490.97 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 55343028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).