3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide

C17H16N4O4S — CID 3682104

IUPAC3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H16N4O4S/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)16(22)19-10-11-6-8-12(9-7-11)26(18,24)25/h2-9H,10H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyHEJFDQBXXMTOOS-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.51
Rot. Bonds4

About 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide

3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide (PubChem CID 3682104) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide
PubChem CID3682104
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H16N4O4S/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)16(22)19-10-11-6-8-12(9-7-11)26(18,24)25/h2-9H,10H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyHEJFDQBXXMTOOS-UHFFFAOYSA-N
XLogP0.51
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
CID 65354656
3-methyl-N'-(4-methylsulfonylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 26873192
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 121382999
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55705156
N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 18105049
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
3-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]phthalazine-1-carboxamide
CID 9163172
formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 163333624

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide (CID 3682104) is 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide is Cn1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide?
The InChIKey is HEJFDQBXXMTOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)16(22)19-10-11-6-8-12(9-7-11)26(18,24)25/h2-9H,10H2,1H3,(H,19,22)(H2,18,24,25).
What are the key properties of 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide?
3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide is sourced from PubChem (CID 3682104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).