N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide

C22H17ClN4O5S — CID 4007249

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H17ClN4O5S/c1-32-18-11-10-13(12-19(18)33(30,31)27-17-9-5-4-8-16(17)23)24-22(29)20-14-6-2-3-7-15(14)21(28)26-25-20/h2-12,27H,1H3,(H,24,29)(H,26,28)
InChIKeyPITJWIDKEPOAGS-UHFFFAOYSA-N
MW484.92 g/mol
LogP3.64
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 4007249) has the molecular formula C22H17ClN4O5S and a molecular weight of 484.92 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID4007249
Molecular FormulaC22H17ClN4O5S
Molecular Weight484.92 g/mol
Exact Mass484.06
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H17ClN4O5S/c1-32-18-11-10-13(12-19(18)33(30,31)27-17-9-5-4-8-16(17)23)24-22(29)20-14-6-2-3-7-15(14)21(28)26-25-20/h2-12,27H,1H3,(H,24,29)(H,26,28)
InChIKeyPITJWIDKEPOAGS-UHFFFAOYSA-N
XLogP3.64
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 2496757
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide
CID 24637119
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 24637106
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3911593
(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide
CID 60575699
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 5179877
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 34082229
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417426

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 4007249) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide is COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is PITJWIDKEPOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O5S/c1-32-18-11-10-13(12-19(18)33(30,31)27-17-9-5-4-8-16(17)23)24-22(29)20-14-6-2-3-7-15(14)21(28)26-25-20/h2-12,27H,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 484.92 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 4007249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).