N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

C17H16N4O4S — CID 4832947

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C17H16N4O4S/c1-21(2)26(24,25)12-7-5-6-11(10-12)18-17(23)15-13-8-3-4-9-14(13)16(22)20-19-15/h3-10H,1-2H3,(H,18,23)(H,20,22)
InChIKeyWPJNDEFJHLPGHX-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.43
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 4832947) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID4832947
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C17H16N4O4S/c1-21(2)26(24,25)12-7-5-6-11(10-12)18-17(23)15-13-8-3-4-9-14(13)16(22)20-19-15/h3-10H,1-2H3,(H,18,23)(H,20,22)
InChIKeyWPJNDEFJHLPGHX-UHFFFAOYSA-N
XLogP1.43
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1122989
4-(1-Oxophthalazin-2-yl)benzenesulfonamide
CID 2826269
4-(4-Methyl-1-oxophthalazin-2-yl)benzenesulfonamide
CID 155544382
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 5201076
N-(4-{[2-(2-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 730403
3-methyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 2083384
3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide
CID 2161709
3-methyl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 3273595
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 4035889
3-methyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 4810706
2-(4-oxo-3,4-dihydrophthalazin-1-yl)-N-{4-[(propan-2-yl)sulfamoyl]phenyl}acetamide
CID 4849074
N-(3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 4857845

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 4832947) is N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is WPJNDEFJHLPGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-21(2)26(24,25)12-7-5-6-11(10-12)18-17(23)15-13-8-3-4-9-14(13)16(22)20-19-15/h3-10H,1-2H3,(H,18,23)(H,20,22).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 4832947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).