N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

C19H17ClN4O5S — CID 4877474

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17ClN4O5S/c20-15-6-5-12(11-16(15)30(27,28)24-7-9-29-10-8-24)21-19(26)17-13-3-1-2-4-14(13)18(25)23-22-17/h1-6,11H,7-10H2,(H,21,26)(H,23,25)
InChIKeyRMHZNZOTAHVQSH-UHFFFAOYSA-N
MW448.89 g/mol
LogP1.85
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 4877474) has the molecular formula C19H17ClN4O5S and a molecular weight of 448.89 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID4877474
Molecular FormulaC19H17ClN4O5S
Molecular Weight448.89 g/mol
Exact Mass448.06
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17ClN4O5S/c20-15-6-5-12(11-16(15)30(27,28)24-7-9-29-10-8-24)21-19(26)17-13-3-1-2-4-14(13)18(25)23-22-17/h1-6,11H,7-10H2,(H,21,26)(H,23,25)
InChIKeyRMHZNZOTAHVQSH-UHFFFAOYSA-N
XLogP1.85
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 3921848
N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4832947
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 5201076
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
3-methyl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 3273595
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 4207677
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4853170
N-(3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 4857845
N-[4-chloro-3-(morpholine-4-sulfonyl)phenyl]naphthalene-1-carboxamide
CID 4877853
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 16235321
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 16250229
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-oxophthalazine-1-carboxamide
CID 168276679

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 4877474) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is RMHZNZOTAHVQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O5S/c20-15-6-5-12(11-16(15)30(27,28)24-7-9-29-10-8-24)21-19(26)17-13-3-1-2-4-14(13)18(25)23-22-17/h1-6,11H,7-10H2,(H,21,26)(H,23,25).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 448.89 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 4877474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).